SCHEMBL3611490

SCHEMBL3611490

CCCCc1ccc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.59
RARA P10276 2/20 0.59
RARG P13631 1/20 0.59
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL16258119 1.00 RARB (0.59) RARBRARARARGCYP17A1CYP11B1
SCHEMBL16258012 1.00 RARB (0.59) RARBRARARARGCYP17A1CYP11B1
SCHEMBL9329602 0.98 RARB (0.57) RARBRARARARGCYP17A1CYP11B1
SCHEMBL16258015 0.95 RARB (0.66) RARBRARARARGCYP17A1CYP11B1
SCHEMBL16258029 0.95 RARB (0.66) RARBRARARARGCYP17A1CYP11B1
SCHEMBL16258039 0.95 RARB (0.66) RARBRARARARGCYP17A1CYP11B1
SCHEMBL11035363 0.93 RARB (0.68) RARBRARARARGCYP17A1CYP11B1
SCHEMBL8375678 0.93 RARB (0.64) RARBRARARARGCYP17A1CYP11B1
SCHEMBL16258040 0.92 RARB (0.52) RARBRARARARGCYP17A1CYP11B1
SCHEMBL16258030 0.92 RARB (0.52) RARBRARARARGCYP17A1CYP11B1

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-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
EP-2806011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2014-11-26 EP disclosed
US-8211820-B2 Catalyst composition, and process for production of cross-coupling compound using the same KYOTO UNIVERSITY (JP) 2012-07-03 US disclosed
US-20100094018-A1 CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME KYOTO UNIVERSITY (JP) 2010-04-15 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-20100094018-A1 CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME F11, PYM1, CA2 RARB 3864/4885RARA 3998/4885RARG 4296/4885

“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.