SCHEMBL509922

SCHEMBL509922

Cc1cc(C)c(CC(=O)O)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
FFAR1 O14842 2/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
CASP7 P55210 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
ALDH1A1 P00352 4/20 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
SCHEMBL509690 0.83 KDM4E (0.38) MAPTKDM4EPOLBTSHRHPGD
Water SCHEMBL28215001 0.83 KDM4E (0.56) MAPTKDM4EPOLBTSHRHPGD
SCHEMBL509946 0.83 KDM4E (0.46) MAPTKDM4EPOLBTSHRHPGD
SCHEMBL6829396 0.82 MAPT (0.50) MAPTKDM4EPOLBTSHRHPGD
SCHEMBL509440 0.81 KDM4E (0.58) MAPTKDM4EPOLBTSHRHPGD
Hydrochloric Acid SCHEMBL2529687 0.79 KDM4E (0.56) MAPTKDM4EPOLBTSHRHPGD
SCHEMBL6589469 0.77 RXRA (0.40) MAPTKDM4EPOLBFFAR1KMT2A
SCHEMBL6471566 0.76 TSHR (0.47) MAPTKDM4ETSHRFFAR1CASP1
SCHEMBL29174272 0.74 ALDH1A1 (0.37) MAPTKDM4EPOLBTSHRHPGD
SCHEMBL508942 0.73 KDM4E (0.50) MAPTKDM4EPOLBTSHRHPGD

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 11 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-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-0809629-B1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-06-30 EP disclosed
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
EP-0809629-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-12-03 EP disclosed
WO-1996025395-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 WO 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 (3 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 MAPT 4297/4885KDM4E 3295/4885POLB 3763/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 MAPT 4247/4885KDM4E 1987/4885POLB 3977/4885
US-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 MAPT 4613/4885KDM4E 215/4885POLB 2886/4885

“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.