SCHEMBL508984

SCHEMBL508984

CCc1cc(-c2ccccc2)cc(Cl)c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
AKR1B1 P15121 1/20 0.47
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
FTO Q9C0B1 1/20 0.39
RHEB Q15382 1/20 0.39
CXCL8 P10145 2/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL509517 0.89 PTGS1 (0.58) PTGS1AKR1B1ABCC4LMNAGAA
SCHEMBL509463 0.81 PTGDR2 (0.43) PTGS1AKR1B1KDM4EPTGDR2PTGS2
SCHEMBL508993 0.79 PTGS1 (0.49) PTGS1ABCC4LMNAGAATSHR
SCHEMBL509488 0.78 PTGDR2 (0.46) AKR1B1KDM4EPTGDR2PTGS2
SCHEMBL509612 0.78 PTGS1 (0.48) PTGS1AKR1B1ABCC4LMNAGAA
SCHEMBL509061 0.77 AKR1B1 (0.44) PTGS1AKR1B1GAATSHRKDM4E
SCHEMBL20562669 0.76 AKR1B1 (0.43) AKR1B1PTGDR2PTGS2
SCHEMBL509087 0.76 PTGS1 (0.47) PTGS1AKR1C2AKR1C1LMNAGAA
SCHEMBL29068247 0.75 PTGS1 (0.44) PTGS1PTPN2PTPN1PTPN6ESR2
SCHEMBL27907594 0.75 AKR1B1 (0.71) PTGS1AKR1B1LMNAPTGDR2CXCL8

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
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 CN 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
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 PTGS1 1886/4885AKR1B1 521/4885AKR1C2 534/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGS1 1595/4885AKR1B1 114/4885AKR1C2 149/4885

“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.