SCHEMBL10301916

SCHEMBL10301916

CCCCCc1ccc(-c2ccc(CCc3ccc(CCC)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.44
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HSD11B1 P28845 1/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
CHKA P35790 1/20 0.38
MPL P40238 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MTOR P42345 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 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
SCHEMBL12735535 0.97 RARB (0.44) RARBHSD11B1RARARARGHSD17B10
SCHEMBL12740085 0.97 RARB (0.44) RARBHSD11B1RARARARGHSD17B10
SCHEMBL9486012 0.95 RARB (0.48) RARBHSD11B1RARARARGHSD17B10
SCHEMBL12994336 0.95 MPL (0.40) RARBCTSLCTSSCTSKHSD11B1
SCHEMBL9485527 0.95 RARB (0.45) RARBHSD11B1RARARARGHSD17B10
SCHEMBL9486821 0.94 RARB (0.47) RARBHSD11B1RARARARGHSD17B10
SCHEMBL9485920 0.94 RARB (0.47) RARBHSD11B1RARARARGHSD17B10
SCHEMBL9486110 0.94 RARB (0.47) RARBHSD11B1RARARARGHSD17B10
SCHEMBL9486681 0.94 RARB (0.47) RARBHSD11B1RARARARGHSD17B10
SCHEMBL9486119 0.94 RARB (0.47) RARBHSD11B1RARARARGHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 RARB 3213/4885CTSL 2598/4885CTSS 1974/4885

“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.