SCHEMBL422983

SCHEMBL422983

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.50
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 2/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MPL P40238 1/20 0.36
GPR3 P46089 1/20 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
SCHEMBL2855559 0.94 RARB (0.52) RARBRARARARGMAPTRAB9A
SCHEMBL17791147 0.93 RARB (0.53) RARBRARARARGMAPTRAB9A
SCHEMBL9494734 0.91 RARB (0.55) RARBRARARARGMAPTL3MBTL1
SCHEMBL17791153 0.91 RARB (0.55) RARBRARARARGMAPTRAB9A
SCHEMBL9493395 0.91 RARB (0.46) RARBRARARARGMAPTRAB9A
SCHEMBL8972213 0.91 RARB (0.46) RARBRARARARGMAPTRAB9A
SCHEMBL12740137 0.90 RARB (0.47) RARBRARARARGMAPTRAB9A
SCHEMBL9494400 0.90 RARB (0.48) RARBRARARARGMAPTRAB9A
SCHEMBL10303371 0.90 GABRA1 (0.43) RARBRAB9AS1PR1S1PR3HSD17B10
SCHEMBL9563711 0.90 RARB (0.48) RARBRARARARGMAPTRAB9A

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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 RARB 453/4885RARA 223/4885RARG 820/4885

“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.