SCHEMBL10301937

SCHEMBL10301937

CCCc1ccc(-c2ccc(CCc3ccc(CC)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
MCL1 Q07820 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
S1PR1 P21453 1/20 0.34
ALOX5 P09917 1/20 0.33
MAOB P27338 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MCHR1 Q99705 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL10301940 0.95 RARB (0.45) RARBRARARARGHTR2AHTR2C
SCHEMBL10301938 0.92 RARB (0.48) RARBRARARARGHTR2AHTR2C
SCHEMBL6897375 0.91 RARB (0.40) RARBRARARARGHTR2AHTR2C
SCHEMBL10301941 0.90 RARB (0.46) RARBRARARARGHTR2AHTR2C
SCHEMBL10301942 0.89 RARB (0.51) RARBRARARARGHTR2AHTR2C
SCHEMBL12735619 0.88 RARB (0.37) RARBRARARARGHTR2AHTR2C
SCHEMBL9664954 0.88 RARB (0.47) RARBRARARARGHTR2AHTR2C
SCHEMBL17487629 0.86 RARB (0.40) RARBRARARARGHTR2AHTR2C
SCHEMBL11996454 0.86 RARB (0.43) RARBRARARARGHTR2AHTR2C
SCHEMBL9663272 0.86 RARB (0.43) RARBRARARARGHTR2AHTR2C

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 5 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
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 3213/4885RARA 2510/4885RARG 3570/4885

“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.