SCHEMBL1760466

SCHEMBL1760466

CCOC(=O)c1ccc(C(=O)OCC)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
CA7 P43166 4/20 0.57
CA14 Q9ULX7 4/20 0.57
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
TSHR P16473 1/20 0.52
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B2 P37059 1/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.49

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
SCHEMBL24320460 0.90 CA12 (0.54) CA12CA1CA2CA9CA7
SCHEMBL5063269 0.90 LMNA (0.52) CA12CA1CA2CA9CA7
SCHEMBL5064633 0.87 MAPT (0.54) TSHRCYP1A2LMNACYP3A4ALDH1A1
SCHEMBL3256021 0.86 CA12 (0.61) CA12CA1CA2CA9CA7
SCHEMBL522136 0.84 KMT2A (0.59) CA12CA1CA2CA9CA7
SCHEMBL9827284 0.84 BAZ2B (0.58) CA12CA1CA2CA9CA7
SCHEMBL6301547 0.84 CA12 (0.59) CA12CA1CA2CA9CA7
SCHEMBL321387 0.84 CA12 (0.62) CA12CA1CA2CA9CA7
SCHEMBL29843135 0.84 CA12 (0.62) CA12CA1CA2CA9CA7
SCHEMBL37983114 0.84 CA12 (0.62) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 WO disclosed
EP-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed
US-4065431-A Thermally stable, rigid polyesters from aromatic dibasic acids and thermally stable, rigid diols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-27 US 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-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES PIEZO1, EMC1, EPCAM CA12 2253/4885CA1 2416/4885CA2 3698/4885

“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.