SCHEMBL508942

SCHEMBL508942

Cc1cc(C)c(CC(=O)O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 3/20 0.39
THRB P10828 2/20 0.39
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDR P35968 1/20 0.38
FABP4 P15090 1/20 0.37
MYC P01106 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
SCHEMBL29188157 0.90 KDM4E (0.46) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL509440 0.86 KDM4E (0.58) KDM4EMAPTPOLBHPGDTSHR
Hydrochloric Acid SCHEMBL2529687 0.84 KDM4E (0.56) KDM4EMAPTPOLBHPGDTSHR
Water SCHEMBL28215001 0.84 KDM4E (0.56) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL16207624 0.81 KDM4E (0.41) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL509482 0.81 MAPT (0.41) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL1783474 0.81 THRB (0.40) KDM4EMAPTPOLBTHRBCYP1A2
SCHEMBL6834789 0.80 KDM4E (0.43) KDM4EMAPTPOLBHPGDALDH1A1
SCHEMBL2967307 0.78 KDM4E (0.42) KDM4EMAPTPOLBALDH1A1SLC22A12
SCHEMBL22066831 0.77 KDM4E (0.50) KDM4EMAPTPOLBHPGDTSHR

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 5 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

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 KDM4E 3295/4885MAPT 4297/4885POLB 3763/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 KDM4E 1987/4885MAPT 4247/4885POLB 3977/4885

“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.