SCHEMBL3853831

SCHEMBL3853831

CCCO[P](=O)OCCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL5632916 0.85
SCHEMBL837010 0.81 CYP3A4 (0.42) CA1CA2
SCHEMBL1123672 0.80
SCHEMBL5145331 0.79 CA1 (0.41) CA1CA2
SCHEMBL8910355 0.78
SCHEMBL6405689 0.77 CA1 (0.43) CA1CA2
SCHEMBL78605 0.77 CA1 (0.43) CA1CA2
SCHEMBL4811160 0.77 CA1 (0.43) CA1CA2
SCHEMBL9225312 0.77 CA1 (0.43) CA1CA2
SCHEMBL702419 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39263-E1 Substituted aromatic thiocarboxylic acid amides and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
EP-0758324-B1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-03-16 EP claimed
EP-1120411-B1 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-09-22 EP claimed
US-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-11-06 US claimed
EP-0832072-B1 PHENYLPYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2003-09-24 EP claimed
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-07-31 US claimed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US claimed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 US claimed
EP-0759908-B1 SUBSTITUTED DIAZACYCLOHEXANDI(THI)ONES BAYER CROPSCIENCE AG (DE) 2003-04-02 EP claimed
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP claimed
WO-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO claimed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 WO claimed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 WO claimed
WO-1996016043-A1 SUBSTITUTED DIAZACYCLOHEXANE DI(THI)ONS HAVING A HERBICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1996-05-30 WO claimed
WO-1996007323-A1 SELECTIVE HERBICIDES BASED ON ARYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 WO claimed
WO-1996007647-A1 SUBSTITUTED PYRIMIDINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1996-03-14 WO claimed
WO-1996002523-A1 HERBICIDAL ARYLIMINO-SUBSTITUTED TRIAZOLES, THIADIAZOLES OR OXADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO claimed
WO-1995031440-A1 SUBSTITUTED DIAZACYCLOHEXANDI(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-23 WO claimed
WO-1995030661-A1 SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-16 WO claimed
EP-0241787-A1 2,5-Substituted dihydroresorcinol ether derivatives BASF Aktiengesellschaft (DE) 1987-10-21 EP claimed

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-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 CA1 2371/4885CA2 1014/4885
US-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 CA1 2924/4885CA2 2288/4885
US-20030144522-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 CA1 2371/4885CA2 1014/4885

“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.