SCHEMBL12823082

SCHEMBL12823082

CCOc1ccc(-c2ccc(OCc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 12/20 0.40
▸ PTGS2 P35354 2/20 0.38
▸ ACACA Q13085 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL12823509 0.94 FFAR4 (0.40) FFAR4PTGS2ACACAMAOAMAOB
SCHEMBL12823186 0.91 FFAR4 (0.38) FFAR4PTGS2ACACAMAOAMAOB
SCHEMBL12823407 0.89 FFAR4 (0.38) FFAR4ACACAMAOAMAOBSCN3A
SCHEMBL12823251 0.89 FFAR4 (0.39) FFAR4PTGS2MAOAMAOBFFAR1
SCHEMBL12736974 0.89 FFAR4 (0.41) FFAR4PTGS2ACACAFFAR1NR1H4
SCHEMBL12736979 0.88 FFAR4 (0.40) FFAR4PTGS2ACACAFFAR1NR1H4
SCHEMBL12821761 0.88 FFAR4 (0.37) FFAR4ACACAMAOAMAOBSCN3A
SCHEMBL12821665 0.88 FFAR4 (0.39) FFAR4MAOAMAOBFFAR1
SCHEMBL12823498 0.88 FFAR4 (0.39) FFAR4MAOAMAOBFFAR1
SCHEMBL13586481 0.87 FFAR4 (0.40) FFAR4PTGS2ACACAFFAR1NR1H4

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 3919/4885ACACA 2882/4885

“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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