SCHEMBL11965807

SCHEMBL11965807

CC(O)c1ccc(-c2ccc(C3CCC(=O)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.33
▸ PIM1 P11309 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL11966361 0.94 ESR2 (0.37) ESR2PDE10APDE2A
SCHEMBL10091426 0.86 NOTUM (0.30) ESR2PDE2A
SCHEMBL11965811 0.82 ALOX5AP (0.31) PIM1ALOX5APFEN1
SCHEMBL11965231 0.82 ESR2 (0.44) ESR2
SCHEMBL11953551 0.79 ESR2 (0.34) ESR2PDE10AALOX5APFEN1
SCHEMBL11939217 0.78 FPR2 (0.36) ALOX5APFEN1
SCHEMBL10091411 0.77 ESR2 (0.33) ESR2
SCHEMBL11965808 0.77 TRPV3 (0.39) PIM1PDE10AALOX5APFEN1
SCHEMBL2506935 0.76 HCRTR2 (0.36) PDE10AALOX5APFEN1
SCHEMBL11943411 0.75 PTGER2 (0.33) ESR2

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 ESR2 3467/4885PIM1 2269/4885PDE10A 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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