SCHEMBL10302007

SCHEMBL10302007

CCCCOc1ccc(-c2ccc(CCc3ccc(C)cc3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.39
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
FFAR4 Q5NUL3 3/20 0.37
FFAR1 O14842 2/20 0.37
RARB P10826 1/20 0.37
S1PR3 Q99500 2/20 0.37
CNR1 P21554 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 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
SCHEMBL10302008 0.98 RARB (0.40) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL10302010 0.97 RARB (0.42) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL10302009 0.97 RARB (0.42) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL10302011 0.97 RARB (0.42) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL10302006 0.92 FFAR4 (0.39) S1PR1FFAR4FFAR1S1PR3MAPT
SCHEMBL12735572 0.91 FFAR4 (0.38) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL12740105 0.91 FFAR4 (0.38) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL20888419 0.89 FFAR4 (0.40) S1PR1CNR2SMN1; SMN2GLAFFAR4
SCHEMBL10302014 0.89 CNR2 (0.38) S1PR1CNR2SMN1; SMN2FFAR4FFAR1
SCHEMBL12735579 0.87 MAPT (0.40) S1PR1CNR2SMN1; SMN2FFAR4FFAR1

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 2145/4885SMN1; SMN2 3123/4885

“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.