SCHEMBL5380259

SCHEMBL5380259

COC(=O)c1ccc(Cl)c(CN2CCN(C)C2=O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.36
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
BUB1 O43683 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5383949 0.86 CYP2D6 (0.39) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5390237 0.79 RORC (0.34) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL22946201 0.76 HCRTR1 (0.57) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5182745 0.74 RORC (0.33) ALDH1A1LMNARORC
SCHEMBL3190994 0.72 PTGS2 (0.37) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4514603 0.72 CYP1A2 (0.53) PDE3BPDE3AKDM4EATMALDH1A1
SCHEMBL6803024 0.71 MEN1 (0.46) KMT2AMEN1
SCHEMBL6803018 0.71 MEN1 (0.46) KMT2AMEN1
SCHEMBL5393876 0.71 KDM4E (0.31) KDM4EALDH1A1LMNARORCHTT
SCHEMBL9079083 0.71 ABL1 (0.42) PDE3BPDE3AKDM4EATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244692-B2 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2007-07-17 US disclosed
US-7244692-B2 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2007-07-17 US disclosed
US-7244692-B2 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2007-07-17 US disclosed
US-20050054534-A1 Substituted benzoylcyclohexane diones for use as herbicides MULLER KLAUS-HELMUT (DE) 2005-03-10 US disclosed
US-6825183-B2 CONTROLLING PLANTS; ANTIGROWTH AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
US-20030119674-A1 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-06-26 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-20030119674-A1 Substituted benzoylcyclohexane diones for use as herbicides DDT, CYP1B1, CYP1A1 PDE3B 3866/4885PDE3A 3253/4885KDM4E 1760/4885
US-20050054534-A1 Substituted benzoylcyclohexane diones for use as herbicides DDT, CYP1B1, CYP1A1 PDE3B 3062/4885PDE3A 2578/4885KDM4E 1895/4885

“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.