SCHEMBL1509915

SCHEMBL1509915

CCc1ccc(-c2ccc(O)c(C(F)F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MPL P40238 3/20 0.32
▸ GCGR P47871 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ BRS3 P32247 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 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
SCHEMBL12834689 0.87 LMNA (0.35) EGFRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9419251 0.82 TRPA1 (0.44) TRPA1EGFRNPC1RAB9ASMN1; SMN2
SCHEMBL12834677 0.80 MPL (0.35) NPC1RAB9ASMN1; SMN2MPLGCGR
SCHEMBL13025914 0.79 GRIA4 (0.34) MPLGCGRMAPK14LMNAMAPT
SCHEMBL13405763 0.77 LMNA (0.43) EGFRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL13025924 0.77 RARB (0.38) MPLGRIA4
SCHEMBL12834671 0.77 RARB (0.45) EGFRMPLMAPK14LMNAALDH1A1
SCHEMBL1509959 0.75 EGFR (0.34) EGFRGCGRMAPK14
SCHEMBL26046689 0.71 MEN1 (0.41) EGFRNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL13025689 0.71 MPL (0.35) NPC1RAB9AMPLALOX5CNR1

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
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 — — EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 — — US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 — — US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 — — EP 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 TRPA1 414/4885EGFR 3760/4885NPC1 3260/4885

“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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