SCHEMBL6283584

SCHEMBL6283584

C=CC(=O)OCCc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.54
DCLRE1A Q6PJP8 1/20 0.54
THRB P10828 1/20 0.50
ACMSD Q8TDX5 3/20 0.44
HNF4A P41235 2/20 0.44
ACLY P53396 3/20 0.43
DHFR P00374 1/20 0.41
MCL1 Q07820 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
METTL3 Q86U44 3/20 0.40
METTL14 Q9HCE5 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGLL Q99685 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
SCHEMBL2320779 0.83 THRB (0.48) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL2320528 0.83 THRB (0.58) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL28626780 0.82 THRB (0.47) THRBMCL1PTPN1ALDH1A1TSHR
SCHEMBL4578981 0.82 THRB (0.47) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL7199611 0.79 THRB (0.50) THRBHNF4AALDH1A1TSHRTP53
SCHEMBL1263541 0.79 THRB (0.47) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL144847 0.79 THRB (0.59) THRBALDH1A1TSHRTP53HIF1A
SCHEMBL19804573 0.78 THRB (0.56) THRBALDH1A1TSHR
SCHEMBL19804270 0.78 THRB (0.52) THRBPTPN1PTPN2PTPN6ALDH1A1
SCHEMBL146604 0.78 THRB (0.55) THRBALDH1A1TSHRTP53HIF1A

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 4 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

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 DCLRE1B 3658/4885DCLRE1A 746/4885THRB 1754/4885

“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.