SCHEMBL12823733

SCHEMBL12823733

CCCC(O)C1CCC(c2ccc(-c3ccc(CCc4ccc(O)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.36
▸ ESR1 P03372 3/20 0.31
▸ HCAR2 Q8TDS4 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12823258 0.93 HCAR2 (0.35) FFAR4ESR1HCAR2MEN1KMT2A
SCHEMBL12823788 0.89 FFAR4 (0.38) FFAR4ESR1
SCHEMBL13586192 0.88 FFAR4 (0.38) FFAR4
SCHEMBL12719215 0.87 FFAR4 (0.33) FFAR4
SCHEMBL12823131 0.87 BACE1 (0.32) FFAR4
SCHEMBL12823065 0.87 FFAR4 (0.32) FFAR4
SCHEMBL12823393 0.87 FFAR4 (0.32) FFAR4
SCHEMBL12823906 0.85 S1PR5 (0.34) FFAR4KMT2A
SCHEMBL12823376 0.84 FFAR4 (0.38) FFAR4ESR1
SCHEMBL12823176 0.84 HTR2A (0.32) —

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 FFAR4 546/4885ESR1 1665/4885HCAR2 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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