SCHEMBL3137904

SCHEMBL3137904

Oc1cccc(-c2cccc(CC(Cc3cccc(-c4cccc(O)n4)c3)Cc3cccc(-c4cccc(O)n4)c3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.39
CTSK P43235 3/20 0.39
GRIA2 P42262 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
PRKCI P41743 1/20 0.34
KARS1 Q15046 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
PRMT6 Q96LA8 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
SCHEMBL3141702 0.98 CTSS (0.39) CTSSCTSKGRIA2ALDH1A1POLB
SCHEMBL13040762 0.81 IDO1 (0.51) CTSSCTSKALDH1A1POLBMAPT
SCHEMBL3137478 0.76 CNR1 (0.47) CTSSCTSKALDH1A1RAB9APPARG
SCHEMBL13271106 0.74 CTSS (0.39) CTSSCTSKKARS1PRMT6IDO1
SCHEMBL1028576 0.72 MEN1 (0.68) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL7905978 0.72 ALDH1A1 (0.53) ALDH1A1POLBMAPTHPGDMEN1
SCHEMBL1074467 0.69 ALDH1A1 (0.46) ALDH1A1POLBMAPTHPGDHSD17B10
SCHEMBL3623102 0.67 IDO1 (0.59) CTSSCTSKALDH1A1POLBMAPT
SCHEMBL14732765 0.67 CTSS (0.54) CTSSCTSKPPARGPPARAKARS1
SCHEMBL29992115 0.66 ALDH1A1 (0.44) ALDH1A1POLBMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825249-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
EP-1749014-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-07-07 EP disclosed
US-20070249834-A1 Metal Complexes MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2007-10-25 US disclosed
EP-1749014-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2007-02-07 EP disclosed
WO-2005113563-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2005-12-01 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-20070249834-A1 Metal Complexes SOD1, AP1M1, AP2A1 CTSS 2313/4885CTSK 3301/4885GRIA2 383/4885

“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.