SCHEMBL4586812

SCHEMBL4586812

CCOC(=O)c1cc(Cl)c2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.45
BRD4 O60885 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4586506 0.86 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL27898914 0.85 ALOX15 (0.58) KDM4EALDH1A1TP53HTTMAPT
SCHEMBL1981895 0.84 POLB (0.47) CA12CA1CA2CA7CA9
SCHEMBL23904838 0.84 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4036100 0.84 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1225083 0.83 HSD17B2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL27773938 0.81 CCR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4150906 0.81 MAOB (0.53) ALDH1A1HTTMAPTKMT2AMEN1
Formaldehyde SCHEMBL27800820 0.79 CCR1 (0.51) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL23166684 0.79 HRH1 (0.45) TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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 (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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CA12 4671/4885CA1 4864/4885CA2 4510/4885

“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.