SCHEMBL12822391

SCHEMBL12822391

C=CCCCOc1ccc(-c2ccc(OCc3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 8/20 0.36
▸ FFAR1 O14842 2/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ ACACA Q13085 1/20 0.30
▸ ALDH2 P05091 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL12823205 0.96 FFAR4 (0.35) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL12719110 0.95 FFAR4 (0.36) FFAR4FFAR1ACACAALDH2MAOA
SCHEMBL12716824 0.92 S1PR1 (0.37) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL12718971 0.92 FFAR4 (0.35) FFAR4FFAR1S1PR1ACACAMAOA
SCHEMBL12823186 0.90 FFAR4 (0.38) FFAR4FFAR1NR1H4ACACAMAOA
SCHEMBL12823324 0.90 FFAR4 (0.35) FFAR4
SCHEMBL12718925 0.90 FFAR4 (0.35) FFAR4
SCHEMBL12717508 0.89 FFAR1 (0.34) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL12823249 0.88 S1PR1 (0.36) FFAR4FFAR1S1PR1S1PR3NR1H4
SCHEMBL12821767 0.88 FFAR1 (0.33) FFAR4FFAR1NR1H4

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 546/4885FFAR1 247/4885S1PR1 1190/4885

“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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