SCHEMBL12822650

SCHEMBL12822650

COc1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(OC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.48
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CPS1 P31327 11/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM1A O60341 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ APP P05067 1/20 0.37

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
SCHEMBL12719765 0.93 NAAA (0.45) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12719330 0.93 NAAA (0.43) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12741488 0.93 NAAA (0.43) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12821340 0.92 NAAA (0.44) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12822978 0.89 NAAA (0.43) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12741462 0.89 RARB (0.42) NAAACPS1
SCHEMBL12823639 0.88 NAAA (0.45) NAAACPS1
SCHEMBL13586369 0.88 NAAA (0.42) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL12823136 0.88 CPS1 (0.39) NAAACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL14766831 0.88 FFAR4 (0.42) NAAACPS1PRKAB2PRKAG1PRKAA2

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 NAAA 3997/4885CYP2C19 2333/4885KDM4E 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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