SCHEMBL2604636

SCHEMBL2604636

C=CC(=O)Oc1cccc(-c2ccc3c(F)c(OC(=O)C=C)ccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B1 P14061 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B2 P37059 1/20 0.44
TYMS P04818 1/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PIK3CA P42336 1/20 0.36
ERN1 O75460 3/20 0.35
DRD1 P21728 1/20 0.34

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
SCHEMBL2604637 0.86 ESR1 (0.36) CYP1A2CYP2C19HSD17B1CYP3A4CYP2D6
SCHEMBL17750820 0.85 THRB (0.39) CYP3A4TYMSMAPTESR1ESR2
SCHEMBL2604645 0.83 HSD17B1 (0.41) CYP1A2CYP2C19HSD17B1CYP3A4CYP2D6
SCHEMBL2604627 0.83 CYP1A2 (0.44) CYP1A2CYP2C19HSD17B1CYP3A4CYP2D6
SCHEMBL2124788 0.81 PLG (0.44) CYP1A2CYP2C19HSD17B1CYP3A4CYP2D6
SCHEMBL2604616 0.81 TYMS (0.40) CYP1A2CYP2C19TYMSMAPT
SCHEMBL18194846 0.80 THRB (0.37) CYP3A4TYMSMAPTESR1ESR2
SCHEMBL379254 0.79 MEN1 (0.45)
SCHEMBL31323065 0.77 TYMS (0.45) CYP1A2CYP2C19CYP3A4CYP2C9TYMS
SCHEMBL2123666 0.76 MAPT (0.47) CYP1A2CYP2C19MAPTDRD1

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-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US 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-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 CYP1A2 2642/4885CYP2C19 2306/4885HSD17B1 380/4885

“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.