SCHEMBL508992

SCHEMBL508992

Cc1cc(Cl)ccc1C(Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
GRM1 Q13255 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MGLL Q99685 1/20 0.39
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MYC P01106 2/20 0.37
NR4A1 P22736 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
SCHEMBL918916 0.85 TSHR (0.42) TSHRHTR2AHTR2CHTR2BMEN1
SCHEMBL11625901 0.83 TSHR (0.51) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL510476 0.83 MEN1 (0.42) HTR2BGRM1MEN1KMT2ACYP1A2
SCHEMBL9278740 0.82 ATM (0.46) TSHRHTR2AHTR2CHTR2BMEN1
SCHEMBL10745903 0.81 TSHR (0.54) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL654108 0.81 TSHR (0.50) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL27761452 0.81 TSHR (0.48) TSHRMEN1KMT2ATDP1MAPK1
SCHEMBL6314940 0.81 LMNA (0.47) TSHRHTR2AHTR2CHTR2BMEN1
SCHEMBL12737359 0.80 GRM1 (0.65) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL3138636 0.80 TSHR (0.49) TSHRHTR2AHTR2CHTR2BGRM1

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 21 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-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-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-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 US disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 TSHR 270/4885HTR2A 1829/4885HTR2C 739/4885
US-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides DDT, CYP8B1, PAOX TSHR 1765/4885HTR2A 3153/4885HTR2C 2305/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 TSHR 357/4885HTR2A 681/4885HTR2C 376/4885
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols CYP2E1, CYP8B1, CYP24A1 TSHR 1333/4885HTR2A 2890/4885HTR2C 1785/4885
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO TSHR 2408/4885HTR2A 1365/4885HTR2C 1540/4885
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 TSHR 332/4885HTR2A 156/4885HTR2C 234/4885

“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.