SCHEMBL2805336

SCHEMBL2805336

[CH2]CCCC(=O)OC(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
EPHX2 P34913 2/20 0.43
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34

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
SCHEMBL7603513 0.94 LMNA (0.48) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL7609993 0.92 LMNA (0.52) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL1001384 0.88 LMNA (0.39) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL10554751 0.87 LMNA (0.57) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL6231000 0.87 LMNA (0.52) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL7768019 0.85 LMNA (0.61) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL11041078 0.85 LMNA (0.61) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL2988368 0.83 LMNA (0.59) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL2689971 0.83 LMNA (0.59) LMNAEPHX2MAPTMAPK1ALDH1A1
SCHEMBL2982658 0.83 LMNA (0.59) LMNAEPHX2MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244710-A1 A METHOD OF ADMINISTERING A PDE3 INHIBITOR VIA TITRATION FOR THE TREATMENT OF PERIPHERAL ARTERIAL DISEASE Indigo Pharmaceuticals (US) 2010-11-03 EP disclosed
WO-2010099388-A1 COMBINATIONAL USE OF A PDE3 INHIBITOR AND OTHER AGENTS INDIGO PHARMACEUTICALS (US) 2010-09-02 WO disclosed
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
WO-2009097406-A1 A METHOD OF ADMINISTERING A PDE3 INHIBITOR VIA TITRATION FOR THE TREATMENT OF PERIPHERAL ARTERIAL DISEASE INDIGO PHARMACEUTICALS (US) 2009-08-06 WO disclosed
EP-1527052-B1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AG (DE) 2006-05-31 EP disclosed
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US disclosed
US-6956034-B2 Oxazin(ethyl)one compounds used as fungicides BASF AKTIENGESELLSCHAFT (DE) 2005-10-18 US disclosed
EP-1395570-B1 OXAZIN(THI)ONE COMPOUNDS USED AS FUNGICIDES BASF AG (DE) 2005-08-10 EP disclosed
US-6888003-B2 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 WO disclosed
WO-1998007700-A1 SUBSTITUTED 2-PHENYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
WO-1997011059-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
US-5318968-A Antithrombotic agents; cardiotonic agents; vasodilators NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-06-07 US disclosed
US-5314883-A Vasodilation, anticoagulants NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-05-24 US disclosed
US-5202323-A Antithrombotic, inotropic, vasodilator, antiallergen NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-04-13 US disclosed
EP-0482208-A1 PYRIDAZINONE DERIVATIVE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-04-29 EP 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-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX LMNA 3577/4885EPHX2 898/4885MAPT 4741/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 LMNA 1715/4885EPHX2 3822/4885MAPT 4879/4885

“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.