SCHEMBL6283564

SCHEMBL6283564

C=CC(=O)OCCc1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
WDR5 P61964 1/20 0.45
LDHA P00338 1/20 0.44
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
GPR35 Q9HC97 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9634091 0.84 THRB (0.54) THRBHCAR2ALDH1A1TP53TSHR
SCHEMBL14343102 0.83 THRB (0.49) THRBWDR5LDHANR4A1NR4A2
SCHEMBL6837942 0.82 THRB (0.53) THRBHCAR2GPR35POLBALDH1A1
SCHEMBL2320055 0.82 THRB (0.55) THRBHCAR2ALDH1A1TP53TSHR
SCHEMBL6280134 0.81 WDR5 (0.44) THRBWDR5LDHANR4A1NR4A2
SCHEMBL29597270 0.79 THRB (0.49) THRBHCAR2ALDH1A1TP53TSHR
SCHEMBL27407039 0.79 THRB (0.49) THRBHCAR2ALDH1A1TP53TSHR
SCHEMBL6283658 0.79 THRB (0.50) THRBWDR5HCAR2ALDH1A1TP53
SCHEMBL29459171 0.79 HDAC3 (0.48) THRBWDR5LDHANR4A1NR4A2
SCHEMBL10686304 0.78 THRB (0.48) THRBHCAR2ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 US disclosed
WO-2003010566-A2 PLASTIC LENS MATERIAL, PLASTIC LENS COMPOSITION, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 WO disclosed
WO-2002072651-A1 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2002-09-19 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 (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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA THRB 1754/4885WDR5 26/4885LDHA 2047/4885

“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.