SCHEMBL20102530

SCHEMBL20102530

CCOc1ccc(CCc2ccc3c(c2F)-c2c-3cc(C)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FGFR2 P21802 2/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM1A O60341 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL20102470 0.90 FGFR2 (0.33) CTSLCTSSCTSKFGFR2
SCHEMBL20102414 0.89 FGFR2 (0.39) FGFR2PTGS1PTGS2KDM1AALDH1A1
SCHEMBL20111247 0.83 L3MBTL1 (0.35) CTSLCTSSCTSKFGFR2ALDH1A1
SCHEMBL20102403 0.81 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL20111337 0.81 GABRA1 (0.33) CTSLCTSSCTSKFGFR2PTGS1
SCHEMBL20102404 0.79 CTSL (0.39) CTSLCTSSCTSKFGFR2PTGS1
SCHEMBL20102402 0.79 TYR (0.40) MAPT
SCHEMBL20117594 0.78 NQO1 (0.35)
SCHEMBL20102498 0.77 KDM1A (0.37) FGFR2PTGS1PTGS2KDM1AFGFR1
SCHEMBL20117888 0.76 PTGS1 (0.34) PTGS1PTGS2

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 CTSL 2729/4885CTSS 2436/4885CTSK 2311/4885

“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.