SCHEMBL6285569

SCHEMBL6285569

C=C(C)C(=O)OC(C)c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
MYC P01106 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
TSHR P16473 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 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
SCHEMBL21112015 0.88 ALDH1A1 (0.41) MAPK1CYP2C9ALDH1A1KDM4EHSD17B10
SCHEMBL27459252 0.84 LPAR1 (0.39) MAPK1CYP2C9PTGS1GAALMNA
SCHEMBL1276039 0.82 SLC37A4 (0.38) MAPK1CYP2C9CYP3A4ALDH1A1KDM4E
SCHEMBL7539754 0.81 MYC (0.45) MAPK1MYCCYP2C9CYP3A4ALOX12
SCHEMBL6284576 0.81 CASR (0.41) KDM4EHSD17B10TDP1NPC1RAB9A
SCHEMBL2597548 0.81 SCN1A (0.40) MAPK1MYCCYP2C9CYP3A4ALOX12
SCHEMBL6278590 0.81 HCAR2 (0.39) MAPK1MYCCYP2C9CYP3A4ALOX12
SCHEMBL6282142 0.78 KMO (0.43) CYP2C9GAALMNAFOLH1ELANE
Phthalic Acid SCHEMBL434167 0.76 ALDH1A1 (0.47) MYCCYP2C9ALDH1A1KDM4EHSD17B10
SCHEMBL3681971 0.76 ESR1 (0.40) ALDH1A1KDM4EHPGDESR1TSHR

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 3 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-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 MAPK1 3540/4885MYC 3452/4885CYP2C9 1649/4885

“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.