SCHEMBL508991

SCHEMBL508991

Cc1cc(Cl)cc(Cl)c1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
PTGS2 P35354 1/20 0.44
P2RX7 Q99572 11/20 0.43
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL6394892 0.90 AKR1B1 (0.47) AKR1B1PTGS2KDM4E
SCHEMBL5191843 0.86 AKR1B1 (0.61) AKR1B1PTGS2KDM4E
SCHEMBL918915 0.85 P2RX7 (0.43) P2RX7KDM4E
SCHEMBL510475 0.85 MAPT (0.50) AKR1B1PTGS2KDM4E
SCHEMBL13527353 0.81 PTGDR2 (0.42) AKR1B1PTGS2KDM4E
SCHEMBL1783474 0.81 THRB (0.40) AKR1B1PTGS2KDM4E
SCHEMBL20561730 0.81 AKR1B1 (0.44) AKR1B1PTGS2KDM4E
SCHEMBL6307051 0.80 MAPT (0.50) P2RX7
SCHEMBL509488 0.79 PTGDR2 (0.46) AKR1B1PTGS2P2RX7KDM4E
SCHEMBL1154261 0.79 KDM4E (0.47) AKR1B1PTGS2KDM4E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AG (DE) 2005-07-28 US claimed
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols LIEB FOLKER (DE) 2003-10-23 US claimed
EP-0825982-B1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-11-27 EP claimed
EP-0825982-A1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1998-03-04 EP claimed
WO-1996035664-A1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-14 WO claimed
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US disclosed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 US disclosed
EP-2734526-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-05-28 EP disclosed
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
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 WO disclosed
US-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AG (DE) 2005-07-28 US disclosed
US-6858741-B2 Alkyl-dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US disclosed
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols LIEB FOLKER (DE) 2003-10-23 US disclosed
EP-0825982-B1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-11-27 EP disclosed
US-6380246-B1 FOR COMBATING PESTS AND WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
US-6316486-B1 FOR COMBATING PESTS AND WEED BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed
EP-0825982-A1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1998-03-04 EP disclosed
WO-1996035664-A1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-14 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-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides DDT, CYP8B1, PAOX AKR1B1 21/4885PTGS2 739/4885P2RX7 2368/4885
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols CYP2E1, CYP8B1, CYP24A1 AKR1B1 43/4885PTGS2 558/4885P2RX7 2530/4885
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 AKR1B1 834/4885PTGS2 1489/4885P2RX7 1/4885

“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.