SCHEMBL1176935

SCHEMBL1176935

CCOC(=O)c1ccc(OC(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 1/20 0.59
MAOA P21397 1/20 0.59
KMT2A Q03164 3/20 0.59
STS P08842 1/20 0.58
PRSS1 P07477 1/20 0.57
ACR P10323 1/20 0.57
ELANE P08246 2/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54

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
Ethyl Benzoate SCHEMBL29281029 0.91 ELANE (0.64) CA12CA1CA2CA7CA9
SCHEMBL11839486 0.89 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10344282 0.89 PRSS1 (0.69) CA12CA1CA2CA7CA9
Ethyl Benzoate SCHEMBL14931241 0.88 ELANE (0.59) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL11839482 0.87 PRSS1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL1721471 0.87 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL13133231 0.87 ELANE (0.56) CA12CA1CA2CA7CA9
SCHEMBL28466805 0.86 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4644691 0.86 ALDH1A1 (0.64) ESR1LMNACYP1A2CYP3A4KMT2A
SCHEMBL7007893 0.86 ELANE (0.66) CA12CA1CA2CA7CA9

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4397763-A TITANIUM-BASED PHILLIPS PETROLEUM COMPANY (US) 1983-08-09 US claimed
US-4330648-A MIXTURE OF TITANIUM HALIDE, MAGNESIUM OR MANGANOUS CHLORIDE DIHYDROCARBYLALUMINUM HALIDE OR HYDRIDE AND AN ETHER-ALCOHOL PHILLIPS PETROLEUM COMPANY (US) 1982-05-18 US claimed
US-4312784-A TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANOUS CHLORIDE, UNSATURATED HYDROCARBON AND TRIHYDROCARBYLALUMNIUM PHILLIPS PETROLEUM CO. (US) 1982-01-26 US claimed
US-4242480-A TWO OR THREE COMPONENT SYSTEM COMPRISING A TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANESE CHLORIDE, UNSATURATED HYDROCARBON, ORGANOALUMINUM COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1980-12-30 US claimed
EP-0002522-A1 Process for polymerizing butene-1 PHILLIPS PETROLEUM COMPANY (US) 1979-06-27 EP claimed
EP-0002521-A1 Titanium-magnesium/manganese-aluminum catalyst and process for olefin polymerization PHILLIPS PETROLEUM COMPANY (US) 1979-06-27 EP claimed
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 US disclosed
EP-1862860-A1 CHARGE CONTROL AGENT AND RELATED TECHNIQUE Orient Chemical Industries, Ltd. (JP) 2007-12-05 EP disclosed
US-20030009030-A1 Novel selective deacetylating agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-09 US disclosed
EP-1245550-A1 NOVEL SELECTIVE DEACETYLATING AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
US-6333393-B1 MOLDED ARTICLES HAVING EXCELLENT SOLDERING TEMPERATURE RESISTANCE AND RIGIDITY. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-25 US disclosed
US-6294643-B1 HEAT RESISTANCE SUMITOMO CHEMICAL CO., LTD. (JP) 2001-09-25 US disclosed
US-4312784-A TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANOUS CHLORIDE, UNSATURATED HYDROCARBON AND TRIHYDROCARBYLALUMNIUM PHILLIPS PETROLEUM CO. (US) 1982-01-26 US disclosed
US-4242480-A TWO OR THREE COMPONENT SYSTEM COMPRISING A TITANIUM HALIDE, LEWIS BASE, MAGNESIUM OR MANGANESE CHLORIDE, UNSATURATED HYDROCARBON, ORGANOALUMINUM COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1980-12-30 US disclosed
US-4187196-A REACTING HALOGENATED TITANIUM COMPOUND WITH MAGNESIUM OR MANGANESE DIHALIDE MONTEDISON S.P.A. (IT) 1980-02-05 US disclosed
EP-0002521-A1 Titanium-magnesium/manganese-aluminum catalyst and process for olefin polymerization PHILLIPS PETROLEUM COMPANY (US) 1979-06-27 EP disclosed
EP-0002522-A1 Process for polymerizing butene-1 PHILLIPS PETROLEUM COMPANY (US) 1979-06-27 EP disclosed
US-4156063-A USING A CATALYST CONTAINING THE REACTION PRODUCT OF AN ALUMINUM COMPOUND AND AN ESTER WITH A SUPPORT CONTAINING THE REACTION PRODUCT OF A TITANIUM COMPOUND AND A MAGNESIUM OR MANGANESE BIHALIDE Montecanti Edison, S.p.A. (IT) 1979-05-22 US disclosed
US-4107414-A Process for the stereoregular polymerization of alpha olefins MONTECATINI EDISON S.P.A. (IT) 1978-08-15 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 (2 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-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART H1-4, CECR2, DOT1L CA12 868/4885CA1 1120/4885CA2 169/4885
US-20030009030-A1 Novel selective deacetylating agents HDAC1, HDAC11, HDAC3 CA12 1521/4885CA1 1794/4885CA2 3017/4885

“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.