SCHEMBL167265

SCHEMBL167265

CCOC(=O)[CH]C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
SOAT1 P35610 1/20 0.48
MAPT P10636 1/20 0.45
TRPA1 O75762 1/20 0.43
GLO1 Q04760 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL4677877 0.89 HCAR2 (0.48) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL4134834 0.86
SCHEMBL8862285 0.86
SCHEMBL27564088 0.84
SCHEMBL7820440 0.83 HCAR2 (0.43) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL8998068 0.82
Diethyl Maleate SCHEMBL60423 0.81 HCAR2 (0.80) HCAR2NPSR1ALDH1A1LMNAHSD17B10
Diethyl Maleate SCHEMBL42602 0.81 HCAR2 (0.80) HCAR2NPSR1ALDH1A1LMNAHSD17B10
Diethyl Maleate SCHEMBL2015896 0.81 HCAR2 (0.80) HCAR2NPSR1ALDH1A1LMNAHSD17B10
Diethyl Maleate SCHEMBL43033 0.81 HCAR2 (0.80) HCAR2NPSR1ALDH1A1LMNAHSD17B10

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 1235 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
EP-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP claimed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO claimed
EP-1491523-B1 ESTER COMPOUND, PLASTICIZER FOR BIODEGRADABLE ALIPHATIC POLYESTER RESIN, AND BIODEGRADABLE RESIN COMPOSITION DAIHACHI CHEM IND (JP) 2011-09-14 EP claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
EP-0408384-A1 N,N'-dicarboxymethyl, N,N'-dicarbamoylmethyl diaminoalkane derivatives and their use in pharmaceutical compositions. BTG INTERNATIONAL LIMITED (GB) 1991-01-16 EP claimed
EP-0197752-B1 PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-09-12 EP claimed
US-4902714-A N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-02-20 US claimed
US-4859721-A Adducts of carboxylic acids and isocyanates with epoxides, aqueous dispersions containing these adducts, processes for their preparation and their use in the autophoretic coating of metallic surfaces HENKEL KOMMADITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US claimed
US-4767847-A Nobamycin its analogs and process therefore THE UPJOHN COMPANY (US) 1988-08-30 US claimed
US-4755619-A Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-07-05 US claimed
EP-0197752-A2 Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-10-15 EP claimed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP claimed
US-4036840-A ENZYME INHIBITORS ICN PHARMACEUTICALS (US) 1977-07-19 US claimed
US-3969339-A Water-soluble pentakis-azo dyestuffs derived from 4,4'-diaminoazobenzene PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-07-13 US claimed

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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 HCAR2 99/4885NPSR1 1429/4885ALDH1A1 1743/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 HCAR2 4405/4885NPSR1 3949/4885ALDH1A1 2723/4885

“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.