SCHEMBL17487608

SCHEMBL17487608

CCCc1ccc(-c2ccc(OCc3cc(F)c(C(F)(F)F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PPARG P37231 1/20 0.36
VDR P11473 1/20 0.36
FFAR1 O14842 6/20 0.36
FFAR4 Q5NUL3 4/20 0.35
PTGES O14684 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
GSTP1 P09211 1/20 0.33

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
SCHEMBL17487605 0.89 MAOB (0.48) MAOBCTSLCTSSCTSKVDR
SCHEMBL17487589 0.84 DAO (0.36) MAOBCTSLCTSSCTSKVDR
SCHEMBL10302542 0.84 VDR (0.44) MAOBCTSLCTSSCTSKVDR
SCHEMBL10302546 0.83 VDR (0.39) MAOBCTSLCTSSCTSKVDR
SCHEMBL10302545 0.82 VDR (0.44) MAOBCTSLCTSSCTSKVDR
SCHEMBL10302547 0.82 RARB (0.39) MAOBCTSLCTSSCTSKVDR
SCHEMBL10302515 0.81 FFAR4 (0.40) MAOBCTSLCTSSCTSKVDR
SCHEMBL17487434 0.81 DAO (0.35) MAOBCTSLCTSSCTSK
SCHEMBL12740505 0.81 VDR (0.43) MAOBVDRFFAR1FFAR4PTGES
SCHEMBL17487493 0.81 FFAR4 (0.36) PPARDFFAR1FFAR4HDAC1HDAC8

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 MAOB 1419/4885PPARD 4628/4885PPARA 4724/4885

“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.