SCHEMBL502470

SCHEMBL502470

CCCc1ccc(-c2ccc(-c3cc(F)c(CC=O)c(F)c3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
MCL1 Q07820 1/20 0.39
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KIF11 P52732 2/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL6409307 0.90 RARB (0.43) RARBRARARARGMCL1NPC1
SCHEMBL10030227 0.90 RARB (0.52) RARBRARARARGHTR2AHSD17B10
SCHEMBL502961 0.84 RARB (0.40) RARBRARARARGMCL1NPC1
SCHEMBL503169 0.83 RARB (0.43) RARBRARARARGMCL1NPC1
SCHEMBL18418531 0.83 RARB (0.42) RARBRARARARGMCL1NPC1
SCHEMBL9512294 0.82 RARB (0.51) RARBRARARARGMCL1NPC1
SCHEMBL10603849 0.82 RARB (0.51) RARBRARARARGMCL1NPC1
SCHEMBL16559928 0.82 RARB (0.41) RARBRARARARGMCL1NPC1
SCHEMBL768377 0.81 RARB (0.45) RARBRARARARGMCL1NPC1
SCHEMBL12566384 0.81 RARB (0.45) RARBRARARARGMCL1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372975-B2 Liquid crystal compound having difluoropropenyleneoxy bonding group JNC CORPORATION (JP) 2013-02-12 US disclosed
US-8372975-B2 Liquid crystal compound having difluoropropenyleneoxy bonding group JNC CORPORATION (JP) 2013-02-12 US disclosed
US-8372975-B2 Liquid crystal compound having difluoropropenyleneoxy bonding group JNC CORPORATION (JP) 2013-02-12 US disclosed
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP CHISSO PETROCHEMICAL CORPORATION (JP) 2012-02-02 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-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP LEF1, EIF4A3, TCF4 RARB 3142/4885RARA 2088/4885RARG 3356/4885

“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.