SCHEMBL5485596

SCHEMBL5485596

Clc1cc(Cl)c(CC(Cl)(Cl)Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
AHR P35869 1/20 0.35
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GGPS1 O95749 1/20 0.31
CYP3A4 P08684 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL943588 0.81 CD44 (0.38) CYP3A4
SCHEMBL11417753 0.73 TP53 (0.44) MAPK1TSHRHPGDHSD17B10GGPS1
SCHEMBL11361556 0.73 GGPS1 (0.56) MAPK1TSHRGGPS1CYP3A4IDO1
SCHEMBL7953262 0.71 AHR (0.42) MAPK1AHRTSHRHPGDHSD17B10
SCHEMBL11565474 0.71 EPHX2 (0.33) GGPS1
SCHEMBL15943530 0.70 RIPK1 (0.33) MAPK1GGPS1CYP3A4IDO1
SCHEMBL11779597 0.69 AHR (0.40) MAPK1AHRTSHRHPGDHSD17B10
SCHEMBL3611499 0.68 AHR (0.33) AHR
SCHEMBL14432237 0.67 CD44 (0.38) CYP3A4
SCHEMBL11219358 0.67 GRIN2D (0.52) MAPK1AHRTSHRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-6933261-B2 2,4,5-Trisubstituted phenylketoenols BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2005-02-17 US disclosed
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides LIEB FOLKER (DE) 2003-09-11 US disclosed
US-6511942-B1 Animal husbandry, veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 2003-01-28 US disclosed
EP-0837847-B1 2,4,5-TRISUBSTITUTED PHENYLKETO-ENOLS FOR USE AS PESTICIDES AND HERBICIDES BAYER AG (DE) 2002-09-18 EP disclosed
US-6110872-A 3-(2,4,5-TRISUBSTITUTED PHENYL), 4-HYDROXY,5,5-(CYCLOALKYL OR HETEROCYCLOALKYL)PYRROLIN-2-ONE AND DERIVATIVES; METHOD OF MAKING BY INTRAMOLECULAR CONDENSATION OF SPECIFIED COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 US disclosed
EP-0837847-A1 2,4,5-TRISUBSTITUTED PHENYLKETO-ENOLS FOR USE AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1998-04-29 EP disclosed
WO-1997001535-A1 2,4,5-TRISUBSTITUTED PHENYLKETO-ENOLS FOR USE AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-4145362-A DIAZOTIZATION OF ARYLAMINE IN PRESENCE OF ALKANOIC ACID, COPPER HALIDE CATALYST S.A. P R B EN NEERLANDAIS PRB N.V. (BE) 1979-03-20 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 (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-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, PDHX MAPK1 1808/4885AHR 144/4885TSHR 2316/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD MAPK1 947/4885AHR 143/4885TSHR 2872/4885

“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.