SCHEMBL12823186

SCHEMBL12823186

CCCC(O)C1CCC(c2ccc(COc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.38
▸ PTGS2 P35354 2/20 0.34
▸ NR1H4 Q96RI1 2/20 0.34
▸ FFAR1 O14842 3/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ HMOX1 P09601 1/20 0.31

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
SCHEMBL12823376 0.92 FFAR4 (0.38) FFAR4NR1H4FFAR1MAOAMAOB
SCHEMBL12823082 0.91 FFAR4 (0.40) FFAR4PTGS2NR1H4FFAR1ACACA
SCHEMBL12821341 0.90 FFAR4 (0.37) FFAR4PTGS2NR1H4FFAR1
SCHEMBL12822391 0.90 FFAR4 (0.36) FFAR4NR1H4FFAR1ACACAMAOA
SCHEMBL12823205 0.89 FFAR4 (0.35) FFAR4NR1H4FFAR1ACACAMAOA
SCHEMBL12823118 0.89 FFAR4 (0.37) FFAR4ESR1
SCHEMBL12822804 0.89 FFAR4 (0.37) FFAR4ESR1
SCHEMBL12717194 0.87 FFAR1 (0.37) FFAR4PTGS2NR1H4FFAR1PPARD
SCHEMBL12823788 0.87 FFAR4 (0.38) FFAR4FFAR1ACACAMAOAMAOB
SCHEMBL13586192 0.86 FFAR4 (0.38) FFAR4FFAR1

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 546/4885PTGS2 3919/4885NR1H4 1534/4885

“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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