SCHEMBL20111434

SCHEMBL20111434

CCOc1ccc(-c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
PTGS1 P23219 4/20 0.40
FAAH O00519 1/20 0.38
KDM1A O60341 2/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
FGFR2 P21802 2/20 0.36
FGFR1 P11362 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MGLL Q99685 1/20 0.35
NAAA Q02083 1/20 0.34
PTPRC P08575 1/20 0.34

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
SCHEMBL20102498 0.86 KDM1A (0.37) PTGS2PTGS1FAAHKDM1AFGFR2
SCHEMBL16855842 0.85 PTGS2 (0.43) PTGS2PTGS1FAAHKDM1AALOX5
SCHEMBL20111651 0.85 FGFR2 (0.38) PTGS2PTGS1KDM1AALOX5GABRA1
SCHEMBL16855917 0.80 FGFR2 (0.46) PTGS2PTGS1FAAHKDM1AFGFR2
SCHEMBL1311903 0.78 GABRA1 (0.43) FAAHALOX5GABRA1GABRB2FGFR2
SCHEMBL16856038 0.76 PTGS2 (0.47) PTGS2PTGS1KDM1ANAAA
SCHEMBL16852379 0.75 FAAH (0.41) PTGS2PTGS1FAAHKDM1AFGFR2
SCHEMBL16855843 0.75 ESR1 (0.45) PTGS2ALOX5GABRA1GABRB2ESR1
SCHEMBL16852378 0.75 NAAA (0.43) PTGS2PTGS1FAAHKDM1AGABRA1
SCHEMBL16572512 0.75 FAAH (0.39) PTGS2PTGS1FAAHKDM1AFGFR2

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S PTGS2 4062/4885PTGS1 3924/4885FAAH 1090/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S PTGS2 4062/4885PTGS1 3924/4885FAAH 1090/4885

“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.