SCHEMBL10301938

SCHEMBL10301938

CCCCc1ccc(-c2ccc(CCc3ccc(CC)c(F)c3F)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.48
RARA P10276 3/20 0.48
RARG P13631 1/20 0.48
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
S1PR1 P21453 2/20 0.37
TYR P14679 1/20 0.36
MPL P40238 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR3 Q99500 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL10301941 0.93 RARB (0.46) RARBRARARARGHTR2AHTR2C
SCHEMBL10301937 0.92 RARB (0.44) RARBRARARARGHTR2AHTR2C
SCHEMBL10301942 0.89 RARB (0.51) RARBRARARARGHTR2AHTR2C
SCHEMBL12735637 0.89 RARB (0.41) RARBRARARARGS1PR1TYR
SCHEMBL10301940 0.87 RARB (0.45) RARBRARARARGHTR2AHTR2C
SCHEMBL12735631 0.87 RARB (0.41) RARBRARARARGS1PR1TYR
SCHEMBL10303301 0.84 RARB (0.40) RARBRARARARGS1PR1TYR
SCHEMBL12735630 0.83 RARB (0.46) RARBRARARARGHTR2AS1PR1
SCHEMBL10301913 0.83 MPL (0.45) RARBRARARARGTYRMPL
SCHEMBL10301992 0.83 RARB (0.40) 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.