SCHEMBL17487884

SCHEMBL17487884

CCCC1CCC(c2ccc(OCC(F)(F)Oc3ccc(-c4ccc(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.34
CYP11B2 P19099 13/20 0.34
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
GRM2 Q14416 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL17487883 0.91 ALOX5AP (0.32) ALOX5APFEN1GRM2
SCHEMBL17487774 0.86 CYP2C9 (0.32) CYP11B1CYP11B2PPARDPPARA
SCHEMBL17487556 0.83 OPRL1 (0.31)
SCHEMBL17487798 0.83 FPR2 (0.31) ALOX5APFEN1GRM2AAK1
SCHEMBL17487549 0.82 GRM2 (0.31) GRM2
SCHEMBL17487927 0.82 CYP11B1 (0.34) CYP11B1CYP11B2GRM2
SCHEMBL17487895 0.81 FEN1 (0.33) ALOX5APFEN1GRM2PPARD
SCHEMBL17487781 0.80 OPRL1 (0.30)
SCHEMBL17487865 0.79 FFAR4 (0.30)
SCHEMBL15226295 0.78 ALOX5AP (0.32) ALOX5APFEN1GRM2

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 CYP11B1 4513/4885CYP11B2 4641/4885ALOX5AP 2022/4885

“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.