SCHEMBL10301926

SCHEMBL10301926

CCCCOc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
S1PR1 P21453 5/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CNR1 P21554 1/20 0.34
RARB P10826 3/20 0.33
S1PR3 Q99500 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPL P40238 3/20 0.32
PPARD Q03181 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CHKA P35790 1/20 0.32

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
SCHEMBL10301927 0.97 RARB (0.37) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL10301930 0.95 RARB (0.39) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL12740105 0.92 FFAR4 (0.38) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL12735572 0.92 FFAR4 (0.38) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL21869910 0.92 CNR2 (0.39) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL14766029 0.91 CYP3A4 (0.40) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL14766518 0.91 CYP3A4 (0.40) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL10301566 0.90 FFAR4 (0.36) S1PR1CTSLCTSSCTSKS1PR3
SCHEMBL14766907 0.88 LMNA (0.39) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL12735579 0.88 MAPT (0.40) CNR2S1PR1CTSLCTSSCTSK

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 CNR2 2145/4885S1PR1 1915/4885CTSL 2598/4885

“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.