SCHEMBL12822817

SCHEMBL12822817

C=CCCOc1ccc(C2CCC(c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.35
▸ ACACB O00763 2/20 0.34
▸ APP P05067 3/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32
▸ ALOX5AP P20292 3/20 0.31
▸ FEN1 P39748 3/20 0.31
▸ FFAR1 O14842 4/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CYP2C19 P33261 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL12822826 0.91 MEN1 (0.37) CASRACACBAPPALOX5APFEN1
SCHEMBL12821949 0.90 FFAR1 (0.35) CASRACACBFFAR1
SCHEMBL12823033 0.90 ACACA (0.34) CASRACACBFFAR4FFAR1
SCHEMBL12822997 0.90 ACACB (0.36) ACACBFFAR1
SCHEMBL12821339 0.90 FFAR4 (0.32) CASRACACBAPPFFAR4
SCHEMBL12823497 0.90 ACACA (0.34) CASRACACBAPPFFAR4ALOX5AP
SCHEMBL12823694 0.90 ACACB (0.32) CASRACACB
SCHEMBL12822617 0.90 ACACB (0.32) CASRACACB
SCHEMBL12822576 0.89 ACACB (0.34) CASRACACBFFAR4FFAR1
SCHEMBL12821332 0.89 ACACA (0.33) CASRACACBFFAR4FFAR1

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 CASR 2823/4885ACACB 3260/4885APP 2200/4885

“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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