SCHEMBL1460538

SCHEMBL1460538

OB(O)c1ccc(-c2ccc(O)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ APP P05067 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.33

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
SCHEMBL10454998 0.85 CA2 (0.40) HSD17B10ABCB1RPS6KA3
SCHEMBL3031530 0.80 LPL (0.46) CYP2C19
SCHEMBL172128 0.78 ACHE (0.56) ESR1ESR2RPS6KA3
SCHEMBL2910682 0.78 LPL (0.49) —
SCHEMBL21374025 0.77 PTGS2 (0.40) ESR1ESR2
SCHEMBL10091341 0.76 ESR2 (0.42) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL9562009 0.76 LPL (0.35) ENPP2
SCHEMBL1513625 0.75 ESR1 (0.43) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL8831992 0.75 ESR1 (0.48) ESR1ESR2HSD17B10ABL1ABCB1
SCHEMBL30694739 0.75 ESR1 (0.48) ESR1ESR2HSD17B10ABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483370-B1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2015-07-15 — — EP disclosed
EP-2483370-B1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2015-07-15 — — EP disclosed
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 — — US disclosed
EP-2483370-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2012-08-08 — — EP disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 — — US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 — — US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 — — US disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 — — WO disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 — — 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-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 ESR1 408/4885ESR2 1598/4885ENPP2 420/4885

“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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