SCHEMBL5113652

SCHEMBL5113652

CCc1cccc(C(=O)O)c1N=C=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.68
GABRB2 P47870 3/20 0.68
CLCN2 P51788 2/20 0.46
HMGB1 P09429 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FOLH1 Q04609 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
KAT6A Q92794 1/20 0.36
SLC16A3 O15427 1/20 0.36

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
SCHEMBL1457079 0.85 GABRA1 (0.69) GABRA1GABRB2CLCN2HMGB1MRGPRX4
SCHEMBL10363062 0.83 GABRA1 (0.62) GABRA1GABRB2MRGPRX4TSHRALDH1A1
SCHEMBL1457739 0.82 GABRA1 (1.00) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL3771988 0.79 KDM4E (0.52) GABRA1GABRB2HMGB1TSHRALDH1A1
SCHEMBL10594316 0.77 CYP3A4 (0.47) GABRA1GABRB2HMGB1TSHRALDH1A1
SCHEMBL4037990 0.75 CYP3A4 (0.46) GABRA1GABRB2CLCN2MRGPRX4TSHR
SCHEMBL1022432 0.75 GABRA1 (0.78) GABRA1GABRB2ALDH1A1HSD17B10
SCHEMBL109349 0.75 GABRA1 (0.78) GABRA1GABRB2TSHRALDH1A1HPGD
SCHEMBL31152354 0.75 GABRA1 (0.78) GABRA1GABRB2ALDH1A1HSD17B10
SCHEMBL10615737 0.75 GABRA1 (0.78) GABRA1GABRB2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623087-B1 Dental composite materials containing tricyclic plasticisers VOCO GMBH (DE) 2019-07-17 EP disclosed
EP-2623086-B1 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GMBH (DE) 2019-07-10 EP disclosed
EP-2623087-A2 Dental composite materials containing tricyclic plasticisers VOCO GmbH (DE) 2013-08-07 EP disclosed
EP-2623086-A2 Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. VOCO GmbH (DE) 2013-08-07 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 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 (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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 GABRA1 361/4885GABRB2 567/4885CLCN2 2833/4885
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 GABRA1 2625/4885GABRB2 3479/4885CLCN2 2549/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 GABRA1 484/4885GABRB2 615/4885CLCN2 2096/4885

“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.