SCHEMBL10303070

SCHEMBL10303070

CCCC(O)c1ccc(OCc2ccc(-c3ccc(O)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 3/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ MGLL Q99685 5/20 0.34
▸ FAAH O00519 2/20 0.33
▸ CNR1 P21554 2/20 0.33

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
SCHEMBL10303069 0.91 FFAR1 (0.40) CYP17A1ERN1FFAR1PPARDFAAH
SCHEMBL12821319 0.85 CYP17A1 (0.39) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL10303161 0.85 FFAR4 (0.33) —
SCHEMBL10303119 0.84 ABCB1 (0.38) ABCB1ESR1ESR2
SCHEMBL10303066 0.83 S1PR1 (0.36) ERN1FFAR1PPARDFAAHCNR1
SCHEMBL10303117 0.83 ERN1 (0.36) ERN1FFAR1PPARDFAAHCNR1
SCHEMBL10302845 0.82 FFAR4 (0.35) FAAH
SCHEMBL10303118 0.81 FFAR1 (0.40) FFAR1PPARD
SCHEMBL10303280 0.80 ESR1 (0.38) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL10303026 0.80 CYP17A1 (0.40) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2

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 1641/4885CYP3A4 2906/4885CYP19A1 1526/4885

“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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