SCHEMBL12823077

SCHEMBL12823077

CCCC(O)c1ccc(-c2ccc(COc3ccc(-c4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ APP P05067 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ USP7 Q93009 1/20 0.34

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
SCHEMBL12823817 0.96 ESR1 (0.40) ESR1ESR2APPCYP2C19CYP3A4
SCHEMBL12823334 0.91 MEN1 (0.42) APPCYP2C19MEN1KMT2AFFAR1
SCHEMBL10303200 0.88 ESR1 (0.39) ESR1ESR2FFAR1MAOBUSP7
SCHEMBL12823848 0.88 MEN1 (0.37) MEN1KMT2AFFAR1
SCHEMBL12821217 0.88 MEN1 (0.37) MEN1KMT2AFFAR1
SCHEMBL12823068 0.88 CYP17A1 (0.39) ESR1ESR2MEN1KMT2AFFAR1
SCHEMBL12823853 0.86 MEN1 (0.43) MEN1KMT2AFFAR1MAOB
SCHEMBL10303206 0.85 FFAR1 (0.39) APPCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL13586553 0.85 MEN1 (0.41) MEN1KMT2AFFAR1
SCHEMBL12823072 0.85 S1PR1 (0.33) APPCYP2C19MEN1KMT2AFFAR1

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 1665/4885ESR2 1733/4885APP 2200/4885

“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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