SCHEMBL10301968

SCHEMBL10301968

CCCCCc1ccc(-c2ccc(CCc3ccc(CCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.55
RARA P10276 2/20 0.43
RARG P13631 1/20 0.43
HTR2A P28223 1/20 0.40
S1PR1 P21453 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
GPR3 P46089 1/20 0.37
MPL P40238 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL10301967 0.96 RARB (0.50) RARBRARARARGS1PR1MPL
SCHEMBL12735698 0.95 RARB (0.53) RARBRARARARGHTR2AS1PR1
SCHEMBL12716530 0.91 RARB (0.48) RARBRARARARGS1PR1MPL
SCHEMBL10301964 0.90 RARB (0.52) RARBRARARARGS1PR1MPL
SCHEMBL9664978 0.89 RARB (0.63) RARBRARARARGHTR2AHSD17B10
SCHEMBL8376944 0.89 RARB (0.63) RARBRARARARGHTR2AHSD17B10
SCHEMBL9664131 0.89 RARB (0.63) RARBRARARARGHTR2AHSD17B10
SCHEMBL8379987 0.89 RARB (0.63) RARBRARARARGHTR2AHSD17B10
SCHEMBL9665499 0.89 RARB (0.66) RARBRARARARGHTR2AHSD17B10
SCHEMBL9664318 0.89 RARB (0.66) RARBRARARARGHTR2AHSD17B10

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 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.