Alcohol

Alcohol

SCHEMBL2337112

CCO.O=C([O-])CCCCCCCNC(=O)c1cc(Cl)ccc1O.O=C([O-])CCCCCCCNC(=O)c1cc(Cl)ccc1O.[Na+].[Na+]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.64
▸ NAAA Q02083 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ CNR1 P21554 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2330850 0.95 CDK1 (0.67) CDK1NAAATDP1PTGS1ALOX5
SCHEMBL2335483 0.95 CDK1 (0.67) CDK1NAAATDP1PTGS1ALOX5
SCHEMBL29036020 0.91 CDK1 (0.58) CDK1NAAATDP1PTGS1POLB
Alcohol SCHEMBL1277192 0.88 CDK1 (0.67) CDK1NAAATDP1CNR1PTGS1
Tetrabuthylammonium SCHEMBL30481059 0.88 NAAA (0.57) CDK1NAAATDP1CNR1EGFR
Choline SCHEMBL30481048 0.88 CDK1 (0.61) CDK1NAAATDP1CNR1PTGS1
Tetrabuthylammonium SCHEMBL29036069 0.88 NAAA (0.57) CDK1NAAATDP1CNR1EGFR
SCHEMBL29036057 0.88 CDK1 (0.55) CDK1NAAATDP1CNR1PTGS1
Alcohol SCHEMBL2337118 0.87 CDK1 (0.66) CDK1NAAATDP1CNR1PTGS1
SCHEMBL12434388 0.84 CDK1 (0.68) CDK1NAAATDP1PTGS1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658695-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2014-02-25 — — US disclosed
EP-1535625-B1 Composition containing n-(5-chlorosalicyloyl)-8-aminocaprylic acid and salmon calcitonin NOVARTIS AG (CH) 2014-01-08 — — EP disclosed
US-20120264834-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-8207227-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2012-06-26 — — US disclosed
US-20110251125-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS NOVARTIS AG (CH) 2011-10-13 — — US disclosed
US-8003697-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2011-08-23 — — US disclosed
US-20100099621-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-04-22 — — US disclosed
US-7659311-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents NOVARTIS AG (CH) 2010-02-09 — — US disclosed
US-20090264368-A1 COMPOSITIONS FOR DELIVERING PARATHYROID HORMONE AND CALCITONIN EMISPHERE TECHNOLOGIES, INC. (US) 2009-10-22 — — US disclosed
US-20080269134-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-30 — — US disclosed
US-20080146509-A1 delivery agent, parathyroid hormone, and calcitonin. This composition exhibits increased delivery of parathyroid hormone and/or calcitonin and is useful for the treatment of osteoporosis. The composition also permits simultaneous oral delivery of parathyroid hormone and calcitonin EMISPHERE TECHNOLOGIES, INC. (US) 2008-06-19 — — US disclosed
US-7384982-B2 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-06-10 — — US disclosed
EP-1535625-A1 Composition containing n-(5-chlorosalicyloyl)-8-aminocaprylic acid and salmon calcitonin Emisphere Technologies, Inc. (US) 2005-06-01 — — EP disclosed
US-20050054557-A1 Compositions for delivering parathyroid hormone and calcitonin MHR INSTITUTIONAL PARTNERS IIA LP 2005-03-10 — — US disclosed
EP-1175390-B1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES EMISPHERE TECH INC (US) 2005-02-02 — — EP disclosed
US-20040106825-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. 2004-06-03 — — US disclosed
EP-1175390-A4 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES EMISPHERE TECH INC (US) 2002-09-04 — — EP disclosed
US-20020065255-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2002-05-30 — — US disclosed
EP-1175390-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES Emisphere Technologies, Inc. (US) 2002-01-30 — — EP disclosed
WO-2000059863-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES EMISPHERE TECHNOLOGIES, INC. (US) 2000-10-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020065255-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents ADH1C, CLIC1, SLC9A1 CDK1 4120/4885NAAA 256/4885TDP1 4270/4885
US-20110251125-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C, HCAR3 CDK1 3439/4885NAAA 141/4885TDP1 4475/4885
US-20080269134-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS HCAR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C CDK1 3362/4885NAAA 133/4885TDP1 4453/4885
US-20080146509-A1 delivery agent, parathyroid hormone, and calcitonin. This composition exhibits increased delivery of parathyroid hormone and/or calcitonin and is useful for the treatment of osteoporosis. The composition also permits simultaneous oral delivery of parathyroid hormone and calcitonin PTH1R, CALCA, CALCB CDK1 3144/4885NAAA 2524/4885TDP1 2752/4885
US-20120264834-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS ACMSD, SLC38A7, SLC10A1 CDK1 4595/4885NAAA 111/4885TDP1 4048/4885
US-20100099621-A1 DISODIUM SALTS, MONOHYDRATES, AND ETHANOL SOLVATES FOR DELIVERING ACTIVE AGENTS HCAR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADH1C CDK1 3362/4885NAAA 133/4885TDP1 4453/4885
US-20050054557-A1 Compositions for delivering parathyroid hormone and calcitonin PTH1R, CALCA, CALCB CDK1 3327/4885NAAA 3304/4885TDP1 2607/4885
US-20040106825-A1 Disodium salts, monohydrates, and ethanol solvates for delivering active agents ADH1C, CLIC1, SLC9A1 CDK1 4120/4885NAAA 256/4885TDP1 4270/4885
US-20090264368-A1 COMPOSITIONS FOR DELIVERING PARATHYROID HORMONE AND CALCITONIN PTH1R, CALCA, CALCB CDK1 3327/4885NAAA 3304/4885TDP1 2607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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