SCHEMBL17359276

SCHEMBL17359276

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(F)c(F)c4)c(F)c3F)cn2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 9/20 0.41
▸ ALOX5AP P20292 8/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ GRIN2B Q13224 2/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ USP7 Q93009 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL18134234 0.84 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2TGFBR1PDE3B
SCHEMBL10303264 0.83 CNR2 (0.44) FEN1ALOX5APGRIN2B
SCHEMBL10303392 0.81 FEN1 (0.45) FEN1ALOX5APGRIN2B
SCHEMBL17359264 0.78 FEN1 (0.40) FEN1ALOX5APAKR1C3AKR1C2TGFBR1
SCHEMBL17356648 0.77 GCGR (0.39) FEN1ALOX5APUSP7
SCHEMBL10303348 0.77 PIM1 (0.42) FEN1ALOX5AP
SCHEMBL16852357 0.76 AKR1C3 (0.47) FEN1ALOX5APAKR1C3AKR1C2PTGS2
SCHEMBL4402602 0.75 CCR1 (0.54) FEN1ALOX5APPTGS2
SCHEMBL19154379 0.75 PTGS2 (0.45) FEN1ALOX5APPTGS2GRIN2BSLC22A12
SCHEMBL18069651 0.73 AKR1C3 (0.53) FEN1ALOX5APAKR1C3AKR1C2PTGS2

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 FEN1 1419/4885ALOX5AP 1818/4885AKR1C3 1766/4885

“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.

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