SCHEMBL12822740

SCHEMBL12822740

C=CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 8/20 0.38
▸ FEN1 P39748 8/20 0.38
▸ IDO1 P14902 1/20 0.32
▸ MDM2 Q00987 1/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 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
SCHEMBL12719496 1.00 ALOX5AP (0.38) ALOX5APFEN1IDO1MDM2CCNC
SCHEMBL12822660 0.91 ALOX5AP (0.39) ALOX5APFEN1IDO1CCNCCDK8
SCHEMBL12823439 0.91 ALOX5AP (0.39) ALOX5APFEN1IDO1CCNCCDK8
SCHEMBL12823989 0.91 ALOX5AP (0.36) ALOX5APFEN1IDO1
SCHEMBL12823253 0.91 ALOX5AP (0.36) ALOX5APFEN1IDO1
SCHEMBL12737398 0.91 ALOX5AP (0.39) ALOX5APFEN1
SCHEMBL12742500 0.91 ALOX5AP (0.39) ALOX5APFEN1
SCHEMBL12821287 0.90 MCHR1 (0.34) ALOX5APFEN1IDO1
SCHEMBL14766258 0.90 ALOX5AP (0.39) ALOX5APFEN1CCNCCDK8
SCHEMBL14766972 0.90 ALOX5AP (0.39) ALOX5APFEN1CCNCCDK8

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 ALOX5AP 1673/4885FEN1 3340/4885IDO1 1869/4885

“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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