SCHEMBL20111542

SCHEMBL20111542

CCOc1ccc2c(c1F)-c1c-2cc(-c2ccccc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
FGFR2 P21802 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPRC P08575 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
FGFR1 P11362 1/20 0.36
PDE10A Q9Y233 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL20111597 0.85 S1PR1 (0.44) ADORA3FGFR2PTPRCNPC1RAB9A
SCHEMBL20111276 0.85 FGFR2 (0.35) ADORA3ADORA2AADORA1FGFR2ALDH1A1
SCHEMBL15256185 0.85 L3MBTL1 (0.43) ADORA3ADORA2AADORA1FGFR2ALDH1A1
SCHEMBL20111217 0.84 L3MBTL1 (0.41) FGFR2ALDH1A1MAPTKDM4EPTPRC
SCHEMBL21609908 0.83 ADORA1 (0.44) ADORA3ADORA2AADORA1FGFR2ALDH1A1
SCHEMBL20097219 0.82 FGFR2 (0.43) ADORA3ADORA2AADORA1FGFR2ALDH1A1
SCHEMBL20102437 0.81 RARB (0.43) FGFR2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL20111640 0.81 HTR1A (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL20102414 0.79 FGFR2 (0.39) FGFR2ALDH1A1MAPTKDM4EPTPRC
SCHEMBL21609904 0.78 FGFR2 (0.44) ADORA3ADORA2AADORA1FGFR2MAPT

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 ADORA3 153/4885ADORA2A 179/4885ADORA1 104/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S ADORA3 153/4885ADORA2A 179/4885ADORA1 104/4885

“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.