SCHEMBL2531900

SCHEMBL2531900

CC(C)COC(=O)CCCO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKCA P17252 4/20 0.43
PRKCE Q02156 2/20 0.43
PRKCQ Q04759 2/20 0.43
PRKCD Q05655 2/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DGKA P23743 1/20 0.42
EPHX2 P34913 1/20 0.42
FAAH O00519 2/20 0.41

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
SCHEMBL7608469 0.94 MAPT (0.52) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL7606764 0.92 MAPT (0.55) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL7603258 0.92 MAPT (0.55) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL42941 0.89 MAPT (0.59) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL356035 0.89 MAPT (0.53) MAPTLMNAKDM4EDUSP3MEN1
Alcohol SCHEMBL28251605 0.87 MAPT (0.58) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL496450 0.86 MAPT (0.62) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL495250 0.86 MAPT (0.62) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL495197 0.86 MAPT (0.62) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL495181 0.86 MAPT (0.62) MAPTLMNAKDM4EDUSP3MEN1

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-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7608714-B2 Production of dolasetron TEVA Gyógyszergyár Zártkörúen Müködö Részvénytársaság (HU) 2009-10-27 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
EP-1874767-A2 PRODUCTION OF DOLASETRON Teva Gyogyszergyár Zártköruen Muködo Részvenytarsaság (HU) 2008-01-09 EP disclosed
EP-1861397-A2 PRODUCTION OF DOLASETRON TEVA Gyógyszergyár Zártkörüen Müködö Részvénytársaság (HU) 2007-12-05 EP disclosed
WO-2007081889-A9 PRODUCTION OF DOLASETRON TEVA GYOGYSZERGYAR ZARTKORUEN (HU) 2007-09-20 WO disclosed
US-20070203219-A1 Production of dolasetron TEVA PHARMACEUTICALS USA, INC. 2007-08-30 US disclosed
WO-2007081889-A2 PRODUCTION OF DOLASETRON TEVA GYÓGYSZERGYÁR ZÁRTKÖRÜEN MÜKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2007-07-19 WO disclosed
WO-2007081890-A2 PRODUCTION OF DOLASETRON TEVA GYÓGYSZERGYÁR ZÁRTKÖRÜEN MÜKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2007-07-19 WO disclosed
US-6521762-B2 Using a base in solvent BIOGAL Gyógyszergyar RT. (HU) 2003-02-18 US disclosed
EP-1140847-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 2002-12-18 EP disclosed
US-6448205-B1 FOR THE DESICCATION AND/OR DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
US-6432880-B1 APPLYING TO PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
CN-1036204-A some compounds ISF SPA (IT) 1989-10-11 CN disclosed
EP-0208272-A2 Method for the preparation of alkyl esters of 3,4-epoxybutyric acid TECNOPART S.r.l. (IT) 1987-01-14 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-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 MAPT 4280/4885LMNA 3913/4885KDM4E 1384/4885
US-20070203219-A1 Production of dolasetron DDOST, DAD1, DHPS MAPT 3789/4885LMNA 1206/4885KDM4E 2995/4885

“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.