SCHEMBL20102498

SCHEMBL20102498

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
PTGS2 P35354 4/20 0.36
FGFR2 P21802 2/20 0.36
FGFR1 P11362 1/20 0.36
FAAH O00519 1/20 0.36
PTGS1 P23219 1/20 0.36
NAAA Q02083 1/20 0.35
FFAR1 O14842 3/20 0.35
PPARD Q03181 1/20 0.35
PTPRC P08575 1/20 0.35
PRKCZ Q05513 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CD274 Q9NZQ7 1/20 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
SCHEMBL20111434 0.86 PTGS2 (0.40) KDM1APTGS2FGFR2FGFR1FAAH
SCHEMBL16852379 0.85 FAAH (0.41) KDM1APTGS2FGFR2FGFR1FAAH
SCHEMBL20102414 0.84 FGFR2 (0.39) KDM1APTGS2FGFR2FGFR1PTGS1
SCHEMBL16855917 0.81 FGFR2 (0.46) KDM1APTGS2FGFR2FGFR1FAAH
SCHEMBL16856038 0.77 PTGS2 (0.47) KDM1APTGS2PTGS1NAAAPRKCZ
SCHEMBL20102530 0.77 CTSL (0.34) KDM1APTGS2FGFR2FGFR1PTGS1
SCHEMBL16852377 0.75 NAAA (0.45) KDM1APTGS2FGFR2FGFR1FAAH
SCHEMBL16855842 0.75 PTGS2 (0.43) KDM1APTGS2FGFR2FGFR1FAAH
SCHEMBL16855899 0.75 L3MBTL1 (0.43) KDM1APTGS2FGFR2FGFR1FAAH
SCHEMBL16855895 0.75 L3MBTL1 (0.43) KDM1APTGS2FGFR2FGFR1FAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S KDM1A 1263/4885PTGS2 4062/4885FGFR2 168/4885

“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.