SCHEMBL12823457

SCHEMBL12823457

CCCC(O)c1ccc(-c2ccc(-c3ccc(CCc4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ HCAR2 Q8TDS4 2/20 0.34
▸ TYR P14679 4/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ CHRNA7 P36544 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
SCHEMBL12822732 0.94 HCAR2 (0.37) ESR1ADRB2HCAR2TYRESR2
SCHEMBL10303034 0.88 ADRB2 (0.35) ADRB2RARB
SCHEMBL12718554 0.86 MEN1 (0.40) ADRB2RARB
SCHEMBL12823817 0.86 ESR1 (0.40) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL12822688 0.84 ALOX5 (0.33) ADRB2RARB
SCHEMBL12823187 0.84 ALOX5 (0.33) ADRB2RARB
SCHEMBL12822830 0.84 CYP17A1 (0.41) ESR1ADRB2HCAR2ESR2CYP3A4
SCHEMBL10303036 0.83 FFAR4 (0.35) ADRB2
SCHEMBL12822397 0.83 CYP17A1 (0.38) ADRB2CYP3A4RARB
SCHEMBL12822749 0.83 FFAR4 (0.32) RARB

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 ESR1 1665/4885ADRB2 526/4885HCAR2 2726/4885

“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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