SCHEMBL12822732

SCHEMBL12822732

CCCC(O)c1ccc(-c2ccc(CCc3ccc(-c4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.37
▸ APP P05067 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR1 P03372 8/20 0.37
▸ RARB P10826 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ ABCB1 P08183 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ TYR P14679 1/20 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
SCHEMBL12823457 0.94 ESR1 (0.36) HCAR2APPCYP3A4CYP2C9CYP2C19
SCHEMBL10302998 0.88 HCAR2 (0.38) HCAR2ESR1RARBESR2ABCB1
SCHEMBL12823187 0.87 ALOX5 (0.33) RARBADRB2
SCHEMBL12822688 0.87 ALOX5 (0.33) RARBADRB2
SCHEMBL12822830 0.86 CYP17A1 (0.41) HCAR2CYP3A4ESR1RARBESR2
SCHEMBL12822962 0.86 PTGS2 (0.39) APPCYP2C19RARBADRB2
SCHEMBL12823077 0.84 ESR1 (0.39) APPCYP3A4CYP2C9CYP2C19ESR1
SCHEMBL13586178 0.83 RARB (0.33) APPRARB
SCHEMBL12823210 0.82 ABCB1 (0.38) HCAR2APPCYP3A4CYP2C9CYP2C19
SCHEMBL12717002 0.82 FFAR4 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCAR2 2726/4885APP 2200/4885CYP3A4 2310/4885

“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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