SCHEMBL12823945

SCHEMBL12823945

C=CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL12823367 0.96 FFAR4 (0.31) FFAR4ALOX5APFEN1SCN9A
SCHEMBL12719511 0.96 FFAR4 (0.33) FFAR4ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL12719394 0.92 FFAR4 (0.33) FFAR4ALOX5APFEN1SCN9A
SCHEMBL12822807 0.91 ALOX5AP (0.33) FFAR4ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL13586248 0.91 FFAR4 (0.34) FFAR4THRBALOX5APFEN1
SCHEMBL12823440 0.90 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL12823448 0.90 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL12822760 0.89 — —
SCHEMBL12823656 0.89 — —
SCHEMBL14767116 0.88 THRA (0.34) FFAR4THRATHRBALOX5APFEN1

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 2 patents. 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 546/4885THRA 1972/4885THRB 2847/4885

“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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