SCHEMBL10302000

SCHEMBL10302000

CCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.40
MPL P40238 9/20 0.39
S1PR1 P21453 3/20 0.36
ALOX5 P09917 1/20 0.35
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
CHKA P35790 1/20 0.34
TYR P14679 1/20 0.34
S1PR3 Q99500 2/20 0.34

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
SCHEMBL10301996 0.96 RARB (0.44) RARBMPLS1PR1ALOX5RARA
SCHEMBL10302022 0.96 RARB (0.41) RARBMPLS1PR1ALOX5RARA
SCHEMBL12740131 0.96 RARB (0.42) RARBMPLS1PR1ALOX5RARA
SCHEMBL15495070 0.95 RARB (0.43) RARBMPLS1PR1ALOX5RARA
SCHEMBL12740165 0.95 RARB (0.44) RARBMPLS1PR1ALOX5RARA
SCHEMBL12735631 0.94 RARB (0.41) RARBMPLS1PR1RARARARG
SCHEMBL12716530 0.92 RARB (0.48) RARBMPLS1PR1ALOX5RARA
SCHEMBL10301992 0.92 RARB (0.40) RARBMPLS1PR1RARARARG
SCHEMBL10302023 0.92 RARB (0.45) RARBMPLS1PR1ALOX5RARA
SCHEMBL12740132 0.92 RARB (0.47) RARBMPLS1PR1ALOX5RARA

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 6 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-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
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
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 WO 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 RARB 3213/4885MPL 4720/4885S1PR1 1915/4885

“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.