SCHEMBL1860945

SCHEMBL1860945

OCCOCCNc1ccnc2cc(Cl)ccc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CCR1 P32246 1/20 0.67
FERMT2 Q96AC1 4/20 0.64
CDK1 P06493 1/20 0.60
NR4A2 P43354 1/20 0.59
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL18290380 0.93 CYP1A2 (0.80) CYP1A2CCR1FERMT2NR4A2KDM4E
SCHEMBL23640947 0.92 CYP1A2 (0.78) CYP1A2CCR1FERMT2NR4A2KDM4E
SCHEMBL15476608 0.92 CYP1A2 (0.78) CYP1A2CCR1FERMT2NR4A2KDM4E
SCHEMBL22734290 0.90 CYP1A2 (0.74) CYP1A2CCR1FERMT2NR4A2KDM4E
SCHEMBL1862287 0.87 CYP1A2 (0.70) CYP1A2CCR1FERMT2CDK1NR4A2
SCHEMBL1855080 0.86 CYP1A2 (0.82) CYP1A2CCR1FERMT2CDK1NR4A2
SCHEMBL22734279 0.84 FERMT2 (0.67) CYP1A2CCR1FERMT2CDK1NR4A2
SCHEMBL2528053 0.84 CCR1 (0.83) CYP1A2CCR1FERMT2CDK1NR4A2
SCHEMBL8738060 0.83 CYP1A2 (1.00) CYP1A2CCR1FERMT2NR4A2KDM4E
SCHEMBL11757988 0.83 CCR1 (0.86) CYP1A2CCR1FERMT2CDK1NR4A2

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-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-7947701-B2 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
EP-1687312-B1 DUAL MOLECULES CONTAINING PEROXY DERIVATIVE, THE SYNTHESIS AND THERAPEUTIC APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2010-07-14 EP disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 US disclosed
US-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-25 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 (1 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-20070021423-A1 Dual molecules containing peroxy derivative, the synthesis and therapeutic applications thereof PRDX2, PRDX1, PRDX5 CYP1A2 210/4885CCR1 4443/4885FERMT2 1686/4885

“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.