Sugi Predict

Sugi Predict / Compounds / SCHEMBL509515

SCHEMBL509515

SCHEMBL509515

CCc1cc(C)c(CC(=O)O)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ PTGS2 P35354 4/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CAMK2A Q9UQM7 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL509065 0.88 RXRA (0.40) KDM4EMAPTPOLBRXRARXRB
SCHEMBL510473 0.83 KDM4E (0.50) KDM4EMAPTPOLBNPSR1CYP1A2
SCHEMBL3171352 0.80 MAPT (0.37) KDM4EMAPTPOLBNPSR1CYP1A2
SCHEMBL1357312 0.80 AURKA (0.37) KDM4EMAPTPOLBNPSR1CYP1A2
SCHEMBL13527353 0.80 PTGDR2 (0.42) KDM4EMAPTPOLBNPSR1PTGS2
SCHEMBL25949767 0.79 THRB (0.44) KDM4EMAPTPOLBTHRATHRB
SCHEMBL28052732 0.76 HSPA5 (0.32) KDM4EPOLBPTGS2THRATHRB
SCHEMBL510120 0.76 MAPT (0.46) KDM4EMAPTPOLBNPSR1CYP1A2
SCHEMBL6593052 0.76 RXRA (0.36) KDM4EMAPTPOLBNPSR1CYP1A2
SCHEMBL29009750 0.76 SLC26A3 (0.35) KDM4EMAPTPOLBNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673818-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2014-03-18 — — US disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 — — US disclosed
US-8334300-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSHAFT (DE) 2012-12-18 — — US disclosed
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-8193120-B2 C2-phenyl-substituted cyclic ketonols BAYER AKTIENGESELLSCHAFT (DE) 2012-06-05 — — US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 — — US disclosed
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-07-28 — — US disclosed
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2011-06-16 — — US disclosed
CN-102014630-A Herbicidal composition comprising a pyridazinone compound with a specific herbicide and a specific safener SUMITOMO CHEMICAL CO 2011-04-13 — — CN disclosed
US-7915282-B2 Preparation by intramolecular cyclization BAYER AKTIENGESELLSCHAFT (DE) 2011-03-29 — — US disclosed
US-20100298142-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 — — US disclosed
US-20100248964-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 — — US disclosed
US-20100210462-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 — — US disclosed
EP-1280770-B1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER AG (DE) 2010-06-23 — — EP disclosed
EP-2187745-A2 HERBICIDAL COMPOSITION Sumitomo Chemical Company, Limited (JP) 2010-05-26 — — EP disclosed
WO-2009035151-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 — — WO disclosed
US-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-20 — — US disclosed
EP-1280770-A1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES Bayer Aktiengesellschaft (DE) 2003-02-05 — — EP disclosed
WO-2001074770-A1 C2 PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2001-10-11 — — 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 (8 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-20030216260-A1 C2-phenyl-substituted cyclic keto-enols used as pesticides and herbicides PDHX, AKR1C3, AKR1A1 KDM4E 138/4885MAPT 4082/4885POLB 3742/4885
US-20100248964-A1 HERBICIDAL COMPOSITION CHRM2, CHRM1, WEE1 KDM4E 2200/4885MAPT 4336/4885POLB 3250/4885
US-20110143943-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 KDM4E 94/4885MAPT 3712/4885POLB 2953/4885
US-20110183849-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, PDHX, AKR1C2 KDM4E 94/4885MAPT 3712/4885POLB 2953/4885
US-20100210462-A1 HERBICIDAL COMPOSITION WEE1, WEE2, H1-3 KDM4E 2732/4885MAPT 4413/4885POLB 3878/4885
US-20100298142-A1 HERBICIDAL COMPOSITION CYP2W1, WEE2, CYP2J2 KDM4E 2715/4885MAPT 4587/4885POLB 3635/4885
US-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 KDM4E 387/4885MAPT 3722/4885POLB 4243/4885

“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.