SCHEMBL1759671

SCHEMBL1759671

[CH2]C(=O)c1cc(OC)ccc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
HTT P42858 1/20 0.66
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL624926 0.85 NPC1 (0.64) MAPTHTTALDH1A1ABCG2KMT2A
SCHEMBL12228747 0.84 MAPT (0.82) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL503802 0.82 POLB (0.70) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL29581343 0.82 MAPT (0.68) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL885028 0.82 MAPT (0.68) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL7074830 0.82 MAPT (0.68) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL6350154 0.81 ABCG2 (0.67) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL7511970 0.81 MAPT (0.62) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL24001 0.81 MAPT (0.66) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL9185042 0.81 POLB (0.68) MAPTNPSR1HTTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456755-A ANTIBIOTICS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1984-06-26 US claimed
US-9981994-B2 Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-05-29 US disclosed
EP-2970204-B1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUND FOR RES DEV (US) 2018-03-28 EP disclosed
US-20170121353-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND MEHTODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2017-05-04 US disclosed
US-9556207-B2 Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-31 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-20150057247-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2015-02-26 US disclosed
US-8921401-B2 Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-12-30 US disclosed
US-20140274950-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2014-09-18 US disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 US disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
US-5502025-A ANTIDOTES FOR HERBICIDES AND PLANT SAFTENING AGENTS MONSANTO COMPANY (US) 1996-03-26 US disclosed
US-4622394-A Oxygen analogs of cephalosporins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1986-11-11 US disclosed
US-4456755-A ANTIBIOTICS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1984-06-26 US disclosed
US-4361514-A Carbon analogs of penicillin MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1982-11-30 US disclosed
US-4282149-A Carbon and oxygen analogs of penicillin MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 US disclosed
US-4154953-A PURIFICATION, STORAGE STABILITY SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed
US-4143046-A CARBON AND OXYGEN ANALOGS OF PENICILLIN MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1979-03-06 US disclosed
US-3984454-A Crystalline prostanoic acid esters SCHERING AKTIENGESELLSCHAFT (DT) 1976-10-05 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 (3 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-20170121353-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND MEHTODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS PPARD, ACHE, PRNP MAPT 265/4885NPSR1 2875/4885HTT 52/4885
US-20140274950-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS PPARG, PPARD, PC MAPT 391/4885NPSR1 3415/4885HTT 152/4885
US-20150057247-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS PPARG, PPARD, PC MAPT 391/4885NPSR1 3415/4885HTT 152/4885

“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.