SCHEMBL510474

SCHEMBL510474

CCC(C(=O)O)c1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GRM1 Q13255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6207353 0.86 SRC (0.46) SRCTAS1R3TAS1R1TAS1R2CACNA1G
SCHEMBL510121 0.86 SRC (0.48) SRCAKR1C3AKR1C2TAS1R3TAS1R1
SCHEMBL3382824 0.84 SRC (0.43) SRCCACNA1GCACNA2D1CACNA1BCACNB1
SCHEMBL5156728 0.83 PDE5A (0.41) SRCCACNA1GCACNA2D1CACNA1BCACNB1
SCHEMBL16744658 0.83 HTT (0.39) AKR1C3AKR1C2MEN1KMT2AGRM1
SCHEMBL19200334 0.83 AKR1C3 (0.50) SRCAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL509516 0.83 AKR1C3 (0.43) AKR1C3AKR1C2MEN1KMT2AGRM1
SCHEMBL3171360 0.83 GRM1 (0.38) SRCAKR1C3AKR1C2MEN1KMT2A
SCHEMBL16672638 0.83 SMN1; SMN2 (0.49) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL8169224 0.83 HTT (0.39) AKR1C3AKR1C2MEN1KMT2AGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-09-23 US claimed
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-09-27 US claimed
US-8962625-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-24 US disclosed
US-8541414-B2 Pyridazinone compound and use thereof as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-24 US disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-8067458-B2 Alkoxyalkyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-11-29 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-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-09-23 US disclosed
US-20100210462-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2218330-A1 Process for the preparation of 2-ethyl-4,6-dimethylphenyl acetic acid by reacting 2-ethyl-4,6-dimethylbromobenzene with tert.-butylacetate Bayer CropScience AG (DE) 2010-08-18 EP disclosed
EP-1996557-B1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-09-24 US disclosed
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-1996557-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES Sumitomo Chemical Company, Limited (JP) 2008-12-03 EP disclosed
WO-2007119434-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-25 WO disclosed
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-09-27 US disclosed
EP-1296918-A2 DIMETHYLBENZENE DERIVATIVES Cognis Deutschland GmbH & Co. KG (DE) 2003-04-02 EP disclosed
WO-2002002494-A2 DIMETHYLBENZENE DERIVATIVES AND THEIR USE AS ODORIFEROUS SUBSTANCES COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-01-10 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 SRC 4045/4885AKR1C3 107/4885AKR1C2 534/4885
US-20070225167-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Tetramic Acid Derivatives as Pest Control Agents and/or Herbicides DDT, DDC, DAO SRC 3316/4885AKR1C3 1506/4885AKR1C2 1407/4885
US-20100248964-A1 HERBICIDAL COMPOSITION CHRM2, CHRM1, WEE1 SRC 4243/4885AKR1C3 599/4885AKR1C2 871/4885
US-20100210462-A1 HERBICIDAL COMPOSITION WEE1, WEE2, H1-3 SRC 3342/4885AKR1C3 594/4885AKR1C2 1163/4885
US-20090239906-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETOENOLS DDT, EBP, TET1 SRC 2220/4885AKR1C3 27/4885AKR1C2 30/4885
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides PDXK, DDT, PLPBP SRC 4272/4885AKR1C3 742/4885AKR1C2 687/4885
US-20100240924-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES AS PEST CONTROL AGENTS AND/OR HERBICIDES DDT, DDC, DAO SRC 3316/4885AKR1C3 1506/4885AKR1C2 1407/4885
US-20100298142-A1 HERBICIDAL COMPOSITION CYP2W1, WEE2, CYP2J2 SRC 4621/4885AKR1C3 436/4885AKR1C2 541/4885

“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.