SCHEMBL10301959

SCHEMBL10301959

C=CCCCOc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
CNR2 P34972 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP17A1 P05093 1/20 0.33
CNR1 P21554 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
NAAA Q02083 1/20 0.31
RARB P10826 2/20 0.30
RARA P10276 1/20 0.30
RARG P13631 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
SCHEMBL10301958 0.95 S1PR1 (0.36) S1PR1CNR2MAPTTDP1CYP17A1
SCHEMBL10301957 0.88 CYP17A1 (0.35) S1PR1MAPTCYP17A1
SCHEMBL12735673 0.88 S1PR1 (0.37) S1PR1CNR2CYP17A1CNR1GABRA1
SCHEMBL10301953 0.87 S1PR1 (0.48) S1PR1CNR2CYP17A1CNR1RARB
SCHEMBL10301933 0.86 CNR2 (0.35) CNR2MAPTTDP1CNR1GABRA1
SCHEMBL10302229 0.86 ERN1 (0.39) S1PR1CNR2MAPTTDP1CYP17A1
SCHEMBL10301954 0.86 S1PR1 (0.45) S1PR1CNR2MAPTTDP1CYP17A1
SCHEMBL12738916 0.85 GRM2 (0.35) S1PR1CNR2CYP17A1CNR1
SCHEMBL10301952 0.85 NAAA (0.40) S1PR1MAPTCYP17A1NAAARARB
SCHEMBL10302484 0.85 FFAR1 (0.36) S1PR1CNR2MAPTTDP1HRH3

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 1915/4885CNR2 2145/4885MAPT 836/4885

“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.