SCHEMBL1106769

SCHEMBL1106769

CCOC(=O)C1(CCCCBr)CCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
NPY1R P25929 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1660144 0.95 CYP4F2 (0.42) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL11296469 0.94 CYP4F2 (0.50) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL1659167 0.88 SMN1; SMN2 (0.40) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL22098179 0.85 CYP4F2 (0.63) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL5973349 0.84 CYP4F2 (0.41) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL8071102 0.84 CYP4F2 (0.45) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL186204 0.83 CYP4F2 (0.45) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL186582 0.83 CYP4F2 (0.45) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL187550 0.83 CYP4F2 (0.45) CYP4F2CYP4A11LMNAPOLBMAPT
SCHEMBL6627249 0.83 CYP4F2 (0.65) CYP4F2CYP4A11

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2020-06-18 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-21 US disclosed
US-6426348-B1 FOR THERAPY OF INFLAMMATION ASSOCIATED WITH CHRONIC INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS (RA), MULTIPLE SCLEROSIS, (MS), ASTHMA, AND INFLAMMATORY BOWEL DISEASE (I BD) HOFFMANN-LA ROCHE INC. 2002-07-30 US disclosed
US-6423728-B1 INHIBIT BINDING OF VASCULAR CELL ADHESION MOLECULE-1 (VCAM-1) TO THE INTEGRIN VLA-4; USE AS ANTIINFLAMMATORY AGENTS AGAINST RHEMATOID ARTHRITIS, MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE AND ASTHMA HOFFMAN-LA ROCHE INC. 2002-07-23 US disclosed
US-20020052508-A1 Heterocyclic thioamide derivatives HULL KENNETH G (US) 2002-05-02 US disclosed
US-20020040148-A1 Diphenyl heterocyclic thioamide derivatives HULL KENNETH G (US) 2002-04-04 US disclosed
US-20020028933-A1 Thioamide derivatives HULL KENNETH GREGORY (US) 2002-03-07 US disclosed
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES HULL KENNETH G (US) 2002-01-24 US disclosed
EP-1154993-A1 THIOAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-21 EP disclosed
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives HULL KENNETH G (US) 2001-11-15 US disclosed
US-6288267-B1 AROMATIC CARBOXY THIOAMIDES WITH AMIDES AS DRUGS TO COUNTERACT INFLAMMATION HOFFMANN-LA ROCHE INC. 2001-09-11 US disclosed
WO-2000048994-A1 THIOAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-24 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-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP4F2 2014/4885CYP4A11 87/4885LMNA 3944/4885
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP4F2 2014/4885CYP4A11 87/4885LMNA 3944/4885
US-20020028933-A1 Thioamide derivatives VCAM1, ICAM1, LTB4R CYP4F2 589/4885CYP4A11 399/4885LMNA 3463/4885
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES VCAM1, ICAM1, KCNA4 CYP4F2 1188/4885CYP4A11 464/4885LMNA 3034/4885
US-20200189999-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP4F2 2014/4885CYP4A11 87/4885LMNA 3944/4885
US-20020040148-A1 Diphenyl heterocyclic thioamide derivatives VCAM1, ICAM1, LTB4R CYP4F2 665/4885CYP4A11 320/4885LMNA 4126/4885
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 CYP4F2 2014/4885CYP4A11 87/4885LMNA 3944/4885
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives VCAM1, ICAM1, LTB4R CYP4F2 693/4885CYP4A11 291/4885LMNA 4213/4885
US-20020052508-A1 Heterocyclic thioamide derivatives VCAM1, ICAM1, LTB4R CYP4F2 514/4885CYP4A11 332/4885LMNA 4109/4885

“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.