SCHEMBL17356607

SCHEMBL17356607

CCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.39
CD274 Q9NZQ7 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PTGS2 P35354 5/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TDP2 O95551 1/20 0.37
MGLL Q99685 3/20 0.36
NAAA Q02083 1/20 0.36
PTGS1 P23219 3/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL8934885 0.90 FPR2 (0.37) FPR2ALDH1A1MAPTHTTALOX5AP
SCHEMBL17359271 0.89 FFAR4 (0.34) FPR2GRIN1GRIN2BNAAAALOX5AP
SCHEMBL3171953 0.87 CD274 (0.37) FPR2CD274GRIN1GRIN2BPTGS2
SCHEMBL17356590 0.87 OPRL1 (0.37) ALDH1A1MAPT
SCHEMBL8934063 0.87 NAAA (0.37) FPR2GRIN1GRIN2BALDH1A1MAPT
SCHEMBL8961759 0.86 FPR2 (0.36) FPR2ALDH1A1MAPTHTTALOX5AP
SCHEMBL19985477 0.86 ALDH1A1 (0.38) FPR2ALDH1A1MAPTHTTALOX5AP
SCHEMBL17356598 0.85 OPRL1 (0.38)
SCHEMBL17356553 0.84 OPRL1 (0.37) ALDH1A1MAPT
SCHEMBL13666233 0.84 FFAR4 (0.39) FPR2GRIN1GRIN2BNAAAALOX5AP

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-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 FPR2 1454/4885CD274 59/4885GRIN1 1295/4885

“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.