SCHEMBL12433827

SCHEMBL12433827

CCCCCc1ccc(-c2cc(F)c(-c3ccc(CCc4c(C)cc(CCC)c(F)c4C(F)F)cc3)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.42
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
GCGR P47871 3/20 0.34
HTR2A P28223 1/20 0.33
HSD11B1 P28845 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 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
SCHEMBL13980093 0.91 RARB (0.32) RARB
SCHEMBL12433702 0.84 RARB (0.44) RARBRARARARGHSD11B1TSHR
SCHEMBL13980084 0.79 RARB (0.39) RARBRARARARGHSD11B1
SCHEMBL12433847 0.76 RARB (0.42) RARBRARARARGGCGRHSD11B1
SCHEMBL9494490 0.76 RARB (0.62) RARBRARARARGHTR2AHSD11B1
SCHEMBL12433685 0.74 RARB (0.45) RARBRARARARGHTR2AHSD11B1
SCHEMBL13026020 0.74 RARB (0.41) RARBRARARARGHSD11B1TSHR
SCHEMBL9399024 0.72 RARB (0.56) RARBRARARARGHTR2AHSD11B1
SCHEMBL12834692 0.72 RARB (0.45) RARBRARARARGHTR2AHSD11B1
SCHEMBL31633928 0.72 RARB (0.58) RARBRARARARGHTR2ATSHR

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
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 RARB 1782/4885RARA 1946/4885RARG 2840/4885

“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.