SCHEMBL2316488

SCHEMBL2316488

CCOC(=O)C(C(C)=O)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL28265423 0.98 ALDH1A1 (0.57) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL30773006 0.98 ALDH1A1 (0.57) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL3385655 0.92 L3MBTL1 (0.51) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL334541 0.90 ALDH1A1 (0.59) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL1433202 0.88 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL17793351 0.88 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL31409193 0.88 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL18022794 0.88 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL9451713 0.86 L3MBTL1 (0.58) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL3096958 0.85 TSHR (0.56) ALDH1A1NPSR1TSHRL3MBTL1KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
EP-1730204-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2011-08-10 EP disclosed
US-7550471-B2 5-alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-7544748-B2 Components and catalysis for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2009-06-09 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 CN disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007113136-A1 USE OF SUBSTITUTED TRIAZOLOPYRIMIDINES FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 WO disclosed
US-20070208150-A1 Components and Catalysis for the Polymerization of Olefins BASELL POLIOLEFINE ITALIA S.R.L (IT) 2007-09-06 US disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
EP-1730204-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2006-12-13 EP disclosed
EP-1585747-B1 5-ALKYL-7-AMINOTRIAZOLOPYRIMIDINES, METHODS AND INTERMEDIATES SUITABLE FOR THEIR PRODUCTION, AGENTS CONTAINING THEM AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2006-09-13 EP disclosed
US-20050272749-A1 5-Alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms BASF AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
WO-2005097841-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-10-20 WO disclosed
EP-1585747-A1 5-ALKYL-7-AMINOTRIAZOLOPYRIMIDINES, METHODS AND INTERMEDIARY PRODUCTS NECESSARY FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF FOR FIGHTING AGAINST HARMFUL MUSHROOMS BASF Aktiengesellschaft (DE) 2005-10-19 EP disclosed
WO-2004041825-A1 5-ALKYL-7-AMINOTRIAZOLOPYRIMIDINES, METHODS AND INTERMEDIARY PRODUCTS NECESSARY FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF FOR FIGHTING AGAINST HARMFUL MUSHROOMS BASF AKTIENGESELLSCHAFT (DE) 2004-05-21 WO disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 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-20050272749-A1 5-Alkyl-7-aminotriazolopyrimidines, methods and intermediary product necessary for the production thereof, agents containing said compounds and the use thereof for fighting against harmful mushrooms ERG28, CBR3, CBR1 ALDH1A1 850/4885NPSR1 3243/4885TSHR 3723/4885
US-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB ALDH1A1 4674/4885NPSR1 920/4885TSHR 3409/4885

“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.