SCHEMBL6283658

SCHEMBL6283658

C=CC(=O)OCCc1ccc2ccccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
MMP3 P08254 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 4/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
CYP3A4 P08684 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
SCHEMBL8415537 0.86 THRB (0.49) THRBALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL68668 0.82 THRB (0.53) THRBALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL29384579 0.82 THRB (0.53) THRBALDH1A1HSD17B10CYP1A2KDM4E
SCHEMBL5145494 0.81 THRB (0.47) THRBALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL14343102 0.81 THRB (0.49) THRBALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL6280145 0.81 POLB (0.40) THRBMMP3ALDH1A1HSD17B10CYP1A2
SCHEMBL6283564 0.79 THRB (0.50) THRBALDH1A1HSD17B10KDM4EGLA
SCHEMBL57853 0.77 THRB (0.50) THRBALDH1A1HSD17B10HPGDKMT2A
SCHEMBL29612237 0.77 THRB (0.50) THRBALDH1A1HSD17B10HPGDKMT2A
SCHEMBL487677 0.76 KDM4E (0.49) ALDH1A1HSD17B10CYP1A2CYP2C19KDM4E

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 1754/4885MMP3 3857/4885ALDH1A1 1516/4885

“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.