SCHEMBL6283576

SCHEMBL6283576

C=CC(=O)OC(C)c1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.44
HNF4A P41235 2/20 0.44
DHFR P00374 1/20 0.41
MCL1 Q07820 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PTGS2 P35354 2/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38
RXRG P48443 1/20 0.37
ACLY P53396 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 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
SCHEMBL8549851 0.83 HCAR2 (0.43) PTGS2HCAR2GAA
SCHEMBL7199606 0.79 FABP4 (0.40) HNF4APDCD1CD274HCAR2
SCHEMBL27132119 0.79 HCAR2 (0.55) PDCD1CD274PTGS2HCAR2CYP1A2
SCHEMBL21879659 0.77 ACMSD (0.58) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL6278590 0.76 HCAR2 (0.39) MCL1HCAR2BADGAACYP2C9
SCHEMBL1564579 0.75 HCAR2 (0.38) HCAR2GAACYP2C9
SCHEMBL8548923 0.75 ALDH1A1 (0.44) HNF4AHCAR2CYP1A2GAACYP2C9
SCHEMBL2478269 0.75 SRD5A2 (0.41) PTGS2CYP1A2GAACYP2C9CYP2C19
SCHEMBL6281239 0.73 KMO (0.43) RXRARXRBGAACYP2C9
SCHEMBL8551746 0.73 HCAR2 (0.33) HCAR2

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 ACMSD 36/4885HNF4A 2147/4885DHFR 1822/4885

“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.