SCHEMBL10301958

SCHEMBL10301958

C=CCCOc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
CYP17A1 P05093 1/20 0.34
CNR2 P34972 2/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR1 P21554 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
SCHEMBL10301959 0.95 S1PR1 (0.37) S1PR1CYP17A1CNR2MAPTTDP1
SCHEMBL10301957 0.89 CYP17A1 (0.35) S1PR1CYP17A1MAPT
SCHEMBL12735667 0.88 S1PR1 (0.35) S1PR1CYP17A1CNR2GABRA1GABRB2
SCHEMBL10301953 0.85 S1PR1 (0.48) S1PR1CYP17A1CNR2CNR1
SCHEMBL12738913 0.85 GRM2 (0.35) S1PR1CYP17A1CNR2GABRA1GABRB2
SCHEMBL10301932 0.85 CNR2 (0.33) CNR2MAPTTDP1GABRA1GABRB2
SCHEMBL10302483 0.85 FFAR1 (0.35) CNR2MAPTTDP1
SCHEMBL10303011 0.85 S1PR1 (0.35) S1PR1CYP17A1CNR2MAPTGABRA1
SCHEMBL10301954 0.84 S1PR1 (0.45) S1PR1CYP17A1CNR2MAPTTDP1
SCHEMBL10302228 0.84 ERN1 (0.39) S1PR1CYP17A1CNR2MAPTTDP1

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 S1PR1 1915/4885CYP17A1 1641/4885CNR2 2145/4885

“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.