SCHEMBL17487769

SCHEMBL17487769

CCCC1CCC(c2ccc(-c3ccc(CCC(F)(F)Oc4ccc(F)c(F)c4)c(F)c3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 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
SCHEMBL17487779 0.93 CYP2C9 (0.35) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17487764 0.91 FFAR4 (0.33) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17487975 0.86 FFAR4 (0.33) FFAR4CYP2C9GRM2
SCHEMBL17490354 0.82 GRM2 (0.35) FFAR4CYP2C9GRM2
SCHEMBL17487698 0.82 CYP2C9 (0.38) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17487522 0.81 S1PR1 (0.36) FFAR4ALDH1A1MAPTGRM2
SCHEMBL17487770 0.81 FASN (0.35)
SCHEMBL17487880 0.80 GRM2 (0.30) GRM2
SCHEMBL20273239 0.80 CYP2C9 (0.45) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14362926 0.80 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
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
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 FFAR4 1903/4885CYP2C9 1749/4885ALDH1A1 1019/4885

“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.