SCHEMBL137801

SCHEMBL137801

C=CC(=O)NC(C)(C)C(C)CC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
PIK3CD O00329 1/20 0.34
ACACB O00763 2/20 0.31
GAA P10253 1/20 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
SCHEMBL21728873 0.88 TSHR (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27512565 0.86 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL174734 0.83 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8576089 0.82 TSHR (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28308530 0.82 TSHR (0.43) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22773432 0.82 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29192563 0.81 TSHR (0.39) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21439808 0.81 TSHR (0.46) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8765961 0.80 TSHR (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21728849 0.80 TSHR (0.38) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258703-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME EVONIK DEGUSSA GMBH (DE) 2017-09-14 US claimed
US-20170258703-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME EVONIK DEGUSSA GMBH (DE) 2017-09-14 US disclosed
EP-2512413-B1 POLYMERIC COMPOSITIONS COMPRISING A POLYALKYL(METH)ACRYLATE REPEATING UNIT FOR PERSONAL CARE PRODUCTS EVONIK DEGUSSA GMBH (DE) 2017-09-13 EP disclosed
US-20170224604-A1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME EVONIK DEGUSSA GMBH (DE) 2017-08-10 US disclosed
US-9233063-B2 Polymeric compositions for personal care products AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-01-12 US disclosed
EP-2739659-B1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME AIR PROD & CHEM (US) 2015-06-17 EP disclosed
EP-2558510-B1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME AIR PROD & CHEM (US) 2015-05-20 EP disclosed
EP-2739659-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME Air Products and Chemicals, Inc. (US) 2014-06-11 EP disclosed
US-20130195775-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME LANDEC CORPORATION (US) 2013-08-01 US disclosed
EP-2558510-A1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME Air Products and Chemicals, Inc. (US) 2013-02-20 EP disclosed
WO-2013020049-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-02-07 WO disclosed
EP-2512413-A2 POLYMERIC COMPOSITIONS FOR PERSONAL CARE PRODUCTS Air Products and Chemicals, Inc. (US) 2012-10-24 EP disclosed
US-20120058060-A1 Cationic/Cationogenic Comb Copolymer Compositions and Personal Care Products Containing the Same AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-03-08 US disclosed
WO-2011130030-A1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-10-20 WO disclosed
WO-2011084552-A2 POLYMERIC COMPOSITIONS FOR PERSONAL CARE PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-07-14 WO disclosed
US-20110150794-A1 Polymeric Compositions for Personal Care Products AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-06-23 US disclosed
US-5275811-A Terpolymer resin of vinyl ester, acrylamide and maleate ISP INVESTMENTS INC. (US) 1994-01-04 US disclosed
US-5196495-A Hair spray; terpolymer of a vinyl ester, alkyl maleate half ester and a substituted acrylamide ISP INVESTMENTS INC. (US) 1993-03-23 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 (5 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-20170224604-A1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME C9, CUTA, ZYX TSHR 2653/4885ALDH1A1 3429/4885CYP3A4 4503/4885
US-20110150794-A1 Polymeric Compositions for Personal Care Products CUTA, POLH, POLL TSHR 2889/4885ALDH1A1 376/4885CYP3A4 1090/4885
US-20120058060-A1 Cationic/Cationogenic Comb Copolymer Compositions and Personal Care Products Containing the Same C9, CUTA, ZYX TSHR 2653/4885ALDH1A1 3429/4885CYP3A4 4503/4885
US-20130195775-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME C9, CUTA, ZYX TSHR 3364/4885ALDH1A1 2420/4885CYP3A4 4317/4885
US-20170258703-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME C9, CUTA, ZYX TSHR 3364/4885ALDH1A1 2420/4885CYP3A4 4317/4885

“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.