Alcohol

Alcohol

SCHEMBL3752302

CCO.NCC(N)C(CO)(CC(=O)O)CC(=O)O

nearest known ligand 0.38

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
KDM4E B2RXH2 1/20 0.38
ADRA1A P35348 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 0.31
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
GABRP O00591 2/20 0.30

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
SCHEMBL5478252 0.71 ADRA1A (0.46) KDM4EADRA1AHMGCRCHRM1TBXA2R
SCHEMBL10554689 0.69 HMGCR (0.34) KDM4EADRA1AHMGCRCHRM1TBXA2R
SCHEMBL750130 0.67 TDP1 (0.42) KDM4EADRA1AHMGCRCHRM1TBXA2R
SCHEMBL5478250 0.67 ALDH1A1 (0.32) KDM4ECYP2D6TSHRCYP2C19HIF1A
SCHEMBL7999396 0.66 TDP1 (0.40) KDM4EADRA1AHMGCRCHRM1TBXA2R
SCHEMBL396503 0.66 TDP1 (0.40) KDM4EADRA1AHMGCRCHRM1TBXA2R
Glycine SCHEMBL723130 0.64
Glycine SCHEMBL30204 0.64 OR51E2 (0.71) KDM4ECYP2D6TSHRGABRR1LMNA
Glycine SCHEMBL468791 0.64 OR51E2 (0.71) KDM4ECYP2D6TSHRGABRR1LMNA
SCHEMBL2778681 0.63 DPP4 (0.33)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101351-A1 CHELATED COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME SCOTT G. WILLIAMS, LLC 2017-04-13 US disclosed
US-9540289-B2 Chelated compositions and methods of making and using the same SCOTT G. WILLIAMS, LLC (US) 2017-01-10 US disclosed
US-20150299059-A1 CHELATED COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME SCOTT G. WILLIAMS, LLC 2015-10-22 US disclosed
US-9034071-B2 Chelated compositions and methods of making and using the same SCOTT G. WILLIAMS, LLC (GE) 2015-05-19 US disclosed
US-20140179945-A1 CHELATED COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME SCOTT G. WILLIAMS, LLC (US) 2014-06-26 US disclosed
US-20120160001-A1 CHELATED COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME SCOTT G. WILLIAMS, LLC (US) 2012-06-28 US disclosed
WO-2012088138-A1 CHELATED COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME SCOTT G. WILLIAMS, LLC (US) 2012-06-28 WO disclosed
US-20100291017-A1 Hair Treatment Compositions CONOPCO, INC. D/B/A UNILEVER 2010-11-18 US disclosed
EP-1959917-A1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2008-08-27 EP disclosed
WO-2007068399-A1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2007-06-21 WO disclosed
US-4215000-A CROWN ETHER COMPLEXES; RAPID REACTION SHELL DEVELOPMENT COMPANY (US) 1980-07-29 US 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 (1 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-20100291017-A1 Hair Treatment Compositions OAT, NACA, BCAT2 KDM4E 2337/4885ADRA1A 4607/4885HMGCR 2392/4885

“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.