SCHEMBL10301950

SCHEMBL10301950

COc1ccc(-c2ccc(CCc3ccc(CO)c(F)c3F)cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.51
ERN1 O75460 1/20 0.40
FFAR1 O14842 1/20 0.40
NAAA Q02083 3/20 0.40
MGLL Q99685 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL10303004 0.91 CYP17A1 (0.55) CYP17A1ERN1FFAR1NAAAMGLL
SCHEMBL12735652 0.90 CYP17A1 (0.47) CYP17A1ERN1FFAR1NAAAMGLL
SCHEMBL10301943 0.88 CYP17A1 (0.52) CYP17A1ERN1FFAR1NAAAMGLL
SCHEMBL10301951 0.87 S1PR1 (0.41) CYP17A1FFAR1NAAAPTGS2
SCHEMBL12823192 0.85 CYP17A1 (0.47) CYP17A1FFAR1NAAAPTGS2
SCHEMBL12735633 0.85 CYP17A1 (0.47) CYP17A1NAAAMGLLPTGS2
SCHEMBL10301944 0.85 CYP17A1 (0.49) CYP17A1NAAAMGLLPTGS2
SCHEMBL10302220 0.85 CYP17A1 (0.49) CYP17A1ERN1FFAR1NAAAMGLL
SCHEMBL12738888 0.83 CYP17A1 (0.44) CYP17A1NAAAPDGFRBPDGFRAPTGS2
SCHEMBL10303023 0.83 CYP17A1 (0.47) CYP17A1ERN1NAAAPDGFRBPDGFRA

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 CYP17A1 1641/4885ERN1 837/4885FFAR1 681/4885

“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.