SCHEMBL11965230

SCHEMBL11965230

CC(O)c1ccc(-c2ccc(C3CCC4(CC3)OCCO4)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ APP P05067 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ESR2 Q92731 2/20 0.31
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ PRKAA1 Q13131 1/20 0.30
▸ PRKAG3 Q9UGI9 1/20 0.30
▸ PRKAG2 Q9UGJ0 1/20 0.30
▸ PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL11965808 0.83 TRPV3 (0.39) TRPV3
SCHEMBL11953546 0.82 CYP3A4 (0.37) TRPV3CYP3A4APPCYP2C9CYP2D6
SCHEMBL11966362 0.80 TRPV3 (0.39) TRPV3
SCHEMBL11894452 0.79 TRPV3 (0.35) TRPV3CYP3A4APPCYP2C9CYP2D6
SCHEMBL11965231 0.78 ESR2 (0.44) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL11965229 0.76 APP (0.39) CYP3A4APPCYP2C9CYP2D6CYP2C19
SCHEMBL11966370 0.74 TRPV3 (0.34) TRPV3
SCHEMBL12733573 0.72 PDE10A (0.36) TRPV3
SCHEMBL14403053 0.71 ESR2 (0.42) TRPV3ESR2
SCHEMBL12821173 0.70 TRPV3 (0.35) TRPV3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 — — 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 TRPV3 5/4885CYP3A4 2573/4885APP 1816/4885

“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.

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