SCHEMBL12823210

SCHEMBL12823210

CCCC(O)c1ccc(-c2ccc(OCc3ccc(-c4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.38
▸ 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 0.36
▸ ESR2 Q92731 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ USP7 Q93009 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL12823598 0.94 FFAR1 (0.36) ABCB1APPCYP3A4CYP2C9CYP2C19
SCHEMBL12821312 0.89 KMT2A (0.37) PTGS2FFAR4FFAR1FAAH
SCHEMBL12822822 0.89 KMT2A (0.37) PTGS2FFAR4FFAR1FAAH
SCHEMBL10303119 0.88 ABCB1 (0.38) ABCB1ESR1ESR2FFAR4USP7
SCHEMBL12822925 0.88 FFAR4 (0.33) CYP3A4ESR1ESR2FFAR4FFAR1
SCHEMBL12823854 0.88 FFAR4 (0.33) CYP3A4ESR1ESR2FFAR4FFAR1
SCHEMBL12821319 0.88 CYP17A1 (0.39) ABCB1CYP3A4ESR1ESR2FFAR4
SCHEMBL13586388 0.87 FAAH (0.42) FFAR4FFAR1FAAH
SCHEMBL10303179 0.86 FFAR1 (0.40) PTGS2FFAR4FFAR1FAAH
SCHEMBL12823485 0.85 APP (0.39) ABCB1APPCYP3A4CYP2C9CYP2C19

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 ABCB1 3521/4885APP 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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