SCHEMBL9913189

SCHEMBL9913189

CC1(C)OB(c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GRM2 Q14416 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
SCHEMBL12357206 0.97 LPL (0.36) LPLLIPGALOX5APFEN1CA1
SCHEMBL2486780 0.93 LPL (0.35) LPLLIPGALOX5APFEN1CA1
SCHEMBL12760441 0.93 LPL (0.37) LPLLIPGCA1CA2CA9
SCHEMBL12357207 0.91 LPL (0.39) LPLLIPGALOX5APFEN1CA1
SCHEMBL13218909 0.87 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL9913718 0.86 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL2393633 0.80 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL18099489 0.80 ERN1 (0.42) ALOX5APFEN1GRM2
SCHEMBL10021838 0.80 ALOX5AP (0.38) ALOX5APFEN1GRM2
SCHEMBL12357204 0.78 GPR3 (0.40) ALOX5APFEN1GRM2

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-8197709-B2 Liquid-crystalline compounds MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2012-06-12 US disclosed
EP-2319897-A1 Liquid crystal compounds Merck Patent GmbH (DE) 2011-05-11 EP disclosed
US-20110101271-A1 LIQUID-CRYSTALLINE COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 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-20110101271-A1 LIQUID-CRYSTALLINE COMPOUNDS GJB2, GIGYF2, AQP3 LPL 4423/4885LIPG 4705/4885ALOX5AP 1645/4885

“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.