SCHEMBL1531470

SCHEMBL1531470

C=CCN1CC(C(=O)OC)CC1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29129901 0.84 BRD4 (0.54) BRD4HPGDALDH1A1GAAMAPK1
SCHEMBL14990930 0.82 BRD4 (0.69) BRD4HPGDALDH1A1GAACA1
SCHEMBL3140082 0.81 BRD4 (0.62) BRD4HPGDALDH1A1GAACA1
SCHEMBL8271284 0.81 POLB (0.57) HPGDALDH1A1GAAMAPTMAPK1
SCHEMBL12667145 0.81 BRD4 (0.62) BRD4HPGDALDH1A1GAACA1
SCHEMBL692641 0.81 POLB (0.57) HPGDALDH1A1GAAMAPTMAPK1
SCHEMBL12667147 0.81 BRD4 (0.62) BRD4HPGDALDH1A1GAACA1
SCHEMBL17445803 0.80 ALDH1A1 (0.45) ALDH1A1GAAMAPK1POLBSMN1; SMN2
SCHEMBL8001584 0.80 POLB (0.41) ALDH1A1MAPTMAPK1POLBSMN1; SMN2
Ammonia Solution, Strong SCHEMBL13280491 0.80 POLB (0.55) HPGDALDH1A1GAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420849-B2 Pyrrolidone derivatives, oligomers and polymers NANOSYNTHONS LLC (US) 2019-09-24 US disclosed
US-20170246323-A1 PYRROLIDONE DERIVATIVES, OLIGOMERS AND POLYMERS NANOSYNTHONS LLC (US) 2017-08-31 US disclosed
EP-3194365-A1 PYRROLIDONE DERIVATIVES, OLIGOMERS AND POLYMERS Nanosynthons LLC (US) 2017-07-26 EP disclosed
WO-2016040962-A1 PYRROLIDONE DERIVATIVES, OLIGOMERS AND POLYMERS NANOSYNTHONS LLC (US) 2016-03-17 WO disclosed
EP-2289975-B1 Organopolysiloxane compound and amidoamine compound, and cosmetic preparation SHINETSU CHEMICAL CO (JP) 2012-08-22 EP disclosed
US-20110052523-A1 ORGANOPOLYSILOXANE COMPOUND AND AMIDOAMINE COMPOUND, AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-20110052523-A1 ORGANOPOLYSILOXANE COMPOUND AND AMIDOAMINE COMPOUND, AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-2289975-A2 Organopolysiloxane compound and amidoamine compound, and cosmetic preparation Shin-Etsu Chemical Co., Ltd. (JP) 2011-03-02 EP disclosed
EP-1781644-B1 MACROCYCLIC BETA-SECRETASE INHIBITORS SCHERING CORP (US) 2008-05-28 EP disclosed
EP-1314736-A2 Silicone monomers and oligomers having a carboxyl functional group thereon MONA INDUSTRIES, INC. (US) 2003-05-28 EP disclosed
US-6297383-B1 HAVING AT LEAST ONE PYRROLIDONE-CONTAINING CARBOXYLIC FUNCTIONAL GROUP, AMPHOTERIC MONA INDUSTRIES, INC. 2001-10-02 US disclosed
EP-0951468-A4 SILICONE MONOMERS AND OLIGOMERS HAVING A CARBOXYL FUNCTIONAL GROUP THEREON MONA INDUSTRIES INC (US) 2001-06-06 EP disclosed
US-6093829-A Silicone monomers and oligomers having a carboxyl functional group thereon MONA INDUSTRIES, INC. (US) 2000-07-25 US disclosed
EP-0951468-A1 SILICONE MONOMERS AND OLIGOMERS HAVING A CARBOXYL FUNCTIONAL GROUP THEREON MONA INDUSTRIES, INC. (US) 1999-10-27 EP disclosed
US-5919938-A Silicone monomers and oligomers having a carboxyl functional group thereon MONA INDUSTRIES, INC. (US) 1999-07-06 US disclosed
US-5780639-A COUPLING AGENTS, ADHESION PROMOTERS, CROSSLINKING AGENTS MONA INDUSTRIES, INC. (US) 1998-07-14 US disclosed
WO-1998022478-A1 SILICONE MONOMERS AND OLIGOMERS HAVING A CARBOXYL FUNCTIONAL GROUP THEREON MONA INDUSTRIES, INC. (US) 1998-05-28 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 (3 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-20110052523-A1 ORGANOPOLYSILOXANE COMPOUND AND AMIDOAMINE COMPOUND, AND COSMETIC PREPARATION H1-3, H1-0, H1-2 BRD4 3403/4885HPGD 3825/4885ALDH1A1 1460/4885
US-20170246323-A1 PYRROLIDONE DERIVATIVES, OLIGOMERS AND POLYMERS POF1B, VGF, RAB5IF BRD4 3336/4885HPGD 1614/4885ALDH1A1 2436/4885
US-10420849-B2 Pyrrolidone derivatives, oligomers and polymers POF1B, VGF, RAB5IF BRD4 3336/4885HPGD 1614/4885ALDH1A1 2436/4885

“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.