Sugi Predict

Sugi Predict / Compounds / SCHEMBL509946

SCHEMBL509946

SCHEMBL509946

C#Cc1cc(C)cc(C)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GPR17 Q13304 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL509536 0.83 MAPT (0.38) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL509922 0.83 MAPT (0.46) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL509440 0.81 KDM4E (0.58) KDM4EMAPTPOLBHPGDTSHR
Hydrochloric Acid SCHEMBL2529687 0.79 KDM4E (0.56) KDM4EMAPTPOLBHPGDTSHR
Water SCHEMBL28215001 0.79 KDM4E (0.56) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL508942 0.73 KDM4E (0.50) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL510473 0.73 KDM4E (0.50) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL22066831 0.73 KDM4E (0.50) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL510475 0.73 MAPT (0.50) KDM4EMAPTPOLBHPGDTSHR
SCHEMBL30025573 0.72 SRC (0.54) KDM4EMAPTGAAMEN1KMT2A

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 8 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-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-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 — — EP disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 — — 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 (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.