SCHEMBL11966362

SCHEMBL11966362

CC(O)c1ccc(C2CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.39
▸ IDO1 P14902 1/20 0.34
▸ PDE10A Q9Y233 5/20 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
SCHEMBL11965808 0.95 TRPV3 (0.39) TRPV3IDO1PDE10A
SCHEMBL11966370 0.92 TRPV3 (0.34) TRPV3IDO1PDE10A
SCHEMBL10091395 0.84 TRPV3 (0.36) TRPV3IDO1PDE10A
SCHEMBL11965230 0.80 TRPV3 (0.37) TRPV3
SCHEMBL10091334 0.79 PDE10A (0.36) TRPV3IDO1PDE10A
SCHEMBL20011091 0.78 TRPV3 (0.39) TRPV3IDO1PDE10A
SCHEMBL10091399 0.78 IDO1 (0.32) TRPV3IDO1
SCHEMBL1243985 0.76 PDE10A (0.38) TRPV3PDE10A
SCHEMBL12906947 0.76 PDE10A (0.33) TRPV3IDO1PDE10A
SCHEMBL11966361 0.74 ESR2 (0.37) PDE10A

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 5/4885IDO1 2568/4885PDE10A 1946/4885

“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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