SCHEMBL17487599

SCHEMBL17487599

Cc1ccc(-c2ccc(CCc3ccc(OC(F)(F)F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
EPHX2 P34913 1/20 0.35
CASR P41180 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
FAAH O00519 1/20 0.34
CACNA1H O95180 3/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
FFAR1 O14842 1/20 0.34
GRM2 Q14416 2/20 0.33
KCNH2 Q12809 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL17487806 0.89 ALOX5 (0.36) PDE2AEPHX2CASRFFAR4CACNA1H
SCHEMBL17490326 0.86 HCRTR1 (0.42) PDE2AFFAR4HCRTR1HCRTR2KCNH2
SCHEMBL18134239 0.85 PDE2A (0.40) PDE2AEPHX2FFAR4FAAHCTSK
SCHEMBL17487590 0.84 CTSK (0.37) PDE2AEPHX2CASRFFAR4CACNA1H
SCHEMBL17487418 0.83 CTSK (0.36) PDE2AEPHX2CASRFFAR4CACNA1H
SCHEMBL17487689 0.80 CTSK (0.37) PDE2AEPHX2CASRCACNA1HHCRTR1
SCHEMBL17487873 0.80 CTSK (0.38) HCRTR1HCRTR2CTSKNAAAGRM2
SCHEMBL17487598 0.80 PTGS2 (0.40) FFAR4
SCHEMBL17487824 0.79 HCRTR1 (0.37) PDE2AFFAR4HCRTR1HCRTR2CTSK
SCHEMBL17487502 0.79 FFAR4 (0.38) PDE2AFFAR4FAAHHCRTR1HCRTR2

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 PDE2A 716/4885EPHX2 2301/4885CASR 2896/4885

“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.