SCHEMBL6306172

SCHEMBL6306172

Cc1cc(Cl)c(-c2c(O)cc(-c3cccnc3)oc2=O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.49
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PRKDC P78527 1/20 0.38
MAPT P10636 2/20 0.38
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6838399 0.94 ACLY (0.44) ACLYMAOAMAOBKDM4EKMT2A
SCHEMBL8708420 0.80 ACLY (0.43) ACLYMAOAMAOBKDM4EKMT2A
SCHEMBL5769996 0.77 KCNA3 (0.39) ACLYMAOAMAOBKDM4EKMT2A
SCHEMBL5483983 0.77 MAOA (0.43) ACLYMAOAMAOBKDM4EKMT2A
SCHEMBL1812246 0.74 MAOB (0.41) ACLYMAOAMAOBKDM4EKMT2A
SCHEMBL1651873 0.71 KMT2A (0.46) KDM4EKMT2AMEN1PPARGCYP2A6
SCHEMBL13744612 0.71 MMP2 (0.46) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL7406156 0.69 CYP1A2 (0.47) KDM4EKMT2AMEN1PPARGCYP2A6
SCHEMBL1652533 0.67 CYP2A6 (0.43) MAOAMAOBKDM4EKMT2AMEN1
SCHEMBL6950850 0.66 SMN1; SMN2 (0.48) KDM4EKMT2ACYP2A6CYP1A1CYP1A2

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 7 patents. 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 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
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 (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-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides DDT, CYP8B1, PAOX ACLY 2232/4885MAOA 1523/4885MAOB 1732/4885
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols CYP2E1, CYP8B1, CYP24A1 ACLY 2860/4885MAOA 1791/4885MAOB 1665/4885

“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.