SCHEMBL502723

SCHEMBL502723

CCCCCc1ccc(-c2ccc(-c3cccc(F)c3)c(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.56
▸ RARB P10826 8/20 0.53
▸ RARA P10276 1/20 0.53
▸ RARG P13631 1/20 0.53
▸ MGLL Q99685 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ PTAFR P25105 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL1817958 0.90 TAAR1 (0.63) TAAR1RARBRARARARGMGLL
SCHEMBL3172562 0.90 RARB (0.46) TAAR1RARBRARARARGMGLL
SCHEMBL10030230 0.89 RARB (0.56) TAAR1RARBRARARARGCYP3A4
SCHEMBL3158112 0.89 RARB (0.48) TAAR1RARBRARARARGMGLL
SCHEMBL3159462 0.89 RARB (0.48) TAAR1RARBRARARARGMGLL
SCHEMBL7786181 0.89 TAAR1 (0.61) TAAR1RARBRARARARGMGLL
SCHEMBL2909950 0.87 RARB (0.64) RARBRARARARGHSD11B1TSHR
SCHEMBL1816914 0.87 RARB (0.57) TAAR1RARBRARARARGCYP3A4
SCHEMBL14175167 0.87 RARB (0.66) RARBRARARARGCYP3A4TSHR
SCHEMBL30967305 0.86 TAAR1 (0.58) TAAR1RARBRARARARGCYP17A1

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 6 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-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP CHISSO PETROCHEMICAL CORPORATION (JP) 2012-02-02 — — US disclosed
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP CHISSO PETROCHEMICAL CORPORATION (JP) 2012-02-02 — — US disclosed
US-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 — — US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 — — 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 (2 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B TAAR1 3234/4885RARB 2364/4885RARA 1623/4885
US-20120029194-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROPROPENYLENEOXY BONDING GROUP LEF1, EIF4A3, TCF4 TAAR1 3110/4885RARB 3142/4885RARA 2088/4885

“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.

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