SCHEMBL17490372

SCHEMBL17490372

CC1CCC(c2ccc(-c3ccc(-c4cc(F)c(CCc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
FASN P49327 1/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
APP P05067 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL17553493 0.88 ESR2 (0.45) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL17487705 0.87 FFAR4 (0.37) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL17490344 0.84 FASN (0.36) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL17490346 0.84
SCHEMBL17487968 0.84 SPHK1 (0.35) CYP3A4CYP2C9FFAR4
SCHEMBL18823442 0.81 ESR2 (0.46) ESR2
SCHEMBL17487823 0.80 HRH3 (0.34) FASNFFAR4
SCHEMBL2741558 0.79 ESR2 (0.44) ESR2FASNCYP3A4CYP2C9APP
SCHEMBL17490377 0.78 HTR2A (0.33) FASNFFAR4
SCHEMBL17487707 0.78 FFAR4 (0.38) ESR2FASNCYP3A4CYP2C9APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 ESR2 3712/4885FASN 2437/4885CYP3A4 1995/4885

“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.