SCHEMBL10301936

SCHEMBL10301936

CCc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
DAO P14920 1/20 0.33
MAOB P27338 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL10301940 0.88 RARB (0.45) RARBRARARARGHTR2AHTR2C
SCHEMBL10301960 0.85 RARB (0.34) RARBRARARARGTAAR1PTGS1
SCHEMBL10301939 0.84 RARB (0.41) RARBRARARARGTAAR1MAPT
SCHEMBL10301937 0.84 RARB (0.44) RARBRARARARGHTR2AHTR2C
SCHEMBL12735617 0.84 FFAR4 (0.38) RARBRARARARGHTR2AHTR2C
SCHEMBL10301952 0.83 NAAA (0.40) RARBRARARARGMAPTPTGS1
SCHEMBL12735624 0.82 RARB (0.40) RARBRARARARGHTR2AHTR2C
SCHEMBL10301938 0.82 RARB (0.48) RARBRARARARGHTR2AHTR2C
SCHEMBL18503375 0.82 CYP1A2 (0.38) TAAR1PTGS1PTGS2MAOBCYP17A1
SCHEMBL10301911 0.81 CHKA (0.38) RARBMAPTPTGS1PTGS2

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.