SCHEMBL12834692

SCHEMBL12834692

CCCCCc1ccc(-c2ccc(-c3ccc(C)c(C(F)F)c3F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.45
HSD11B1 P28845 3/20 0.42
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MPL P40238 1/20 0.38
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL13025924 0.90 RARB (0.38) RARBHSD11B1RARARARGMPL
SCHEMBL13026018 0.90 HRH3 (0.43) RARBHSD17B10TSHRALDH1A1MEN1
SCHEMBL13026020 0.89 RARB (0.41) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL13025689 0.89 MPL (0.35) RARBHSD11B1MAPTMPL
SCHEMBL12834586 0.87 MPL (0.34) RARBHSD11B1MAPTMPL
SCHEMBL13026017 0.86 RARB (0.36) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL12834671 0.85 RARB (0.45) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL13025914 0.85 GRIA4 (0.34) RARBMAPTMPLLMNAPTGS1
SCHEMBL18306230 0.84 RARB (0.50) RARBHSD11B1HSD17B10TSHRRARA
SCHEMBL13025922 0.84 MAPT (0.48) RARBRARAALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 RARB 228/4885HSD11B1 1363/4885HSD17B10 3401/4885

“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.