SCHEMBL12822966

SCHEMBL12822966

C=CCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.35
▸ FFAR1 O14842 4/20 0.34
▸ MAOB P27338 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ S1PR1 P21453 3/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL12823072 0.96 S1PR1 (0.33) ACACAFFAR1CASRFFAR4MEN1
SCHEMBL12719296 0.95 FFAR1 (0.36) ACACAFFAR1MAOBFFAR4MEN1
SCHEMBL12822069 0.92 FFAR1 (0.35) FFAR1MAOBFFAR4MEN1KMT2A
SCHEMBL10303325 0.90 FFAR1 (0.35) FFAR1MAOBMEN1KMT2ACA12
SCHEMBL12719076 0.90 S1PR1 (0.37) FFAR1CASRFFAR4MEN1KMT2A
SCHEMBL12823812 0.89 ACACA (0.38) ACACAFFAR1MAOBCASRFFAR4
SCHEMBL12822073 0.88 S1PR1 (0.39) FFAR1CASRS1PR1S1PR3CA12
SCHEMBL12823853 0.87 MEN1 (0.43) ACACAFFAR1MAOBFFAR4MEN1
SCHEMBL14766862 0.87 S1PR1 (0.38) FFAR1MAOBFFAR4MEN1KMT2A
SCHEMBL12719442 0.87 MEN1 (0.34) FFAR1MEN1KMT2A

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 ACACA 2882/4885FFAR1 247/4885MAOB 3160/4885

“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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