SCHEMBL12823136

SCHEMBL12823136

COc1ccc(C(=O)Oc2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 12/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL12821412 0.92 CYP2C19 (0.38) CPS1NAAAKDM4ECYP1A2CYP2D6
SCHEMBL12822989 0.92 CPS1 (0.39) CPS1ALOX5APFEN1
SCHEMBL12741690 0.89 CPS1 (0.38) CPS1NAAAKDM4ECYP1A2CYP2D6
SCHEMBL12719796 0.89 CPS1 (0.38) CPS1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12822650 0.88 NAAA (0.48) CPS1NAAAKDM4ECYP1A2CYP2D6
SCHEMBL12719509 0.87 HIF1A (0.32) NAAACYP1A2CYP2C19ALOX5APFEN1
SCHEMBL12822801 0.87 ALOX5AP (0.36) NAAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12823110 0.87 ALOX5AP (0.36) NAAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL13586378 0.86 ALOX5AP (0.37) NAAASMN1; SMN2ALOX5APFEN1
SCHEMBL12823368 0.85 ALOX5AP (0.39) CPS1NAAAKDM4ECYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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 CPS1 4819/4885NAAA 3997/4885KDM4E 2690/4885

“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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