SCHEMBL12823619

SCHEMBL12823619

CCOc1ccc(-c2ccc(CCc3ccc(-c4cnc(OC)nc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.39
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ NAAA Q02083 4/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ GRM2 Q14416 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CALM1 P0DP23 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL12738901 0.90 NAAA (0.38) CYP17A1NAAAPDGFRBPDGFRAGRM2
SCHEMBL14766450 0.89 S1PR1 (0.40) CYP17A1NAAAFFAR4PTGS2S1PR1
SCHEMBL12738890 0.87 FFAR4 (0.37) CYP17A1ALOX5APFEN1NAAAFFAR4
SCHEMBL14767030 0.87 NAAA (0.40) CYP17A1NAAAFFAR4PTGS2S1PR1
SCHEMBL12738893 0.87 BRD4 (0.38) CYP17A1NAAAGRM2FFAR4PTGS2
SCHEMBL12821155 0.86 FFAR1 (0.41) CYP17A1NAAACALM1S1PR1
SCHEMBL12823608 0.86 GRM2 (0.37) CYP17A1ALOX5APFEN1GRM2FFAR4
SCHEMBL12735640 0.85 NAAA (0.41) CYP17A1NAAAFFAR4PTGS2S1PR1
SCHEMBL12735642 0.85 NAAA (0.41) CYP17A1NAAAFFAR4PTGS2S1PR1
SCHEMBL10303023 0.85 CYP17A1 (0.47) CYP17A1NAAAPDGFRBPDGFRACALM1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CYP17A1 1283/4885ALOX5AP 1673/4885FEN1 3340/4885

“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.

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