SCHEMBL130309

SCHEMBL130309

CCOC(=O)CC(=O)COCc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.49
HTT P42858 2/20 0.46
F2RL1 P55085 1/20 0.45
MEN1 O00255 2/20 0.44
PLA2G4B P0C869 1/20 0.44
KLK7 P49862 1/20 0.44
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.42
MIF P14174 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL127562 0.89 PLA2G4B (0.47) KMT2AALDH1A1GLAHTTF2RL1
SCHEMBL11084824 0.88 KMT2A (0.50) KMT2AALDH1A1GLAHTTMEN1
SCHEMBL132700 0.88 HTT (0.51) ALDH1A1HTTF2RL1PLA2G4BKLK7
SCHEMBL6565313 0.87 ALDH1A1 (0.43) ALDH1A1PLA2G4BMAPT
SCHEMBL6567531 0.87 GAA (0.48) KMT2AALDH1A1HTTMEN1NPC1
SCHEMBL53331 0.84 PPID (0.49) ALDH1A1NPC1MAPTPOLBRAB9A
SCHEMBL28784413 0.83 ALDH1A1 (0.59) KMT2AALDH1A1GLAHTTF2RL1
SCHEMBL3230548 0.82 LMNA (0.47) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6567053 0.82 FFAR1 (0.52) ALDH1A1HTTF2RL1PLA2G4BNPC1
SCHEMBL606715 0.82 HTT (0.56) KMT2AALDH1A1GLAHTTF2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20060241151-A1 Pyrid-2-one derivatives and methods of use AMGEN, INC. (US) 2006-10-26 US disclosed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP disclosed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
US-20030105341-A1 Process for producing optically active gamma-butyrolactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-06-05 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 (4 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-20030105341-A1 Process for producing optically active gamma-butyrolactone HSD17B10, HSD17B1, HSD17B12 KMT2A 3056/4885ALDH1A1 77/4885GLA 475/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK KMT2A 3617/4885ALDH1A1 481/4885GLA 880/4885
US-20060241151-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK KMT2A 3504/4885ALDH1A1 490/4885GLA 877/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 KMT2A 3400/4885ALDH1A1 580/4885GLA 4410/4885

“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.