SCHEMBL508994

SCHEMBL508994

CCC(C(=O)O)c1ccc(-c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
CTSA P10619 1/20 0.43
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
AKR1C1 Q04828 1/20 0.43
PTGS1 P23219 1/20 0.43
PPARD Q03181 2/20 0.42
DHFR P00374 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.41
CACNA1B Q00975 1/20 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
SCHEMBL1999919 0.83 POLB (0.53) AKR1C3AKR1C2AKR1C1PTGS1MEN1
SCHEMBL29889833 0.83 POLB (0.53) AKR1C3AKR1C2AKR1C1PTGS1MEN1
SCHEMBL11839394 0.81 DHFR (0.44) PPARGPPARACTSADHFRMEN1
SCHEMBL11839989 0.81 BLM (0.45) CTSADHFRMEN1KMT2AKDM4E
SCHEMBL4948052 0.81 ACMSD (0.47) AKR1C3AKR1C2DHFRLMNAMAPT
SCHEMBL25242321 0.81 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1MEN1
SCHEMBL31688947 0.81 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL509518 0.81 PTGS2 (0.44) PPARGPPARAAKR1C3AKR1C2MAPT
SCHEMBL510198 0.81 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1PTGS1MEN1
SCHEMBL28487773 0.79 DHFR (0.46) CTSADHFRMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 PPARG 1091/4885PPARA 1409/4885CTSA 1263/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PPARG 248/4885PPARA 624/4885CTSA 3621/4885

“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.