SCHEMBL5457638

SCHEMBL5457638

O=[C]Nc1ccc(O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.44
ARG1 P05089 1/20 0.44
SNCA P37840 1/20 0.42
TRPA1 O75762 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALOX15 P16050 3/20 0.39
PKLR P30613 1/20 0.39
APP P05067 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SERPINE1 P05121 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PTGS2 P35354 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5462845 0.81 TDP1 (0.50) TRPA1ALOX15KDM4EPOLBGAA
SCHEMBL15903856 0.78 KMT2A (0.54) KDM4ECA12CA1CA2CA7
SCHEMBL15904099 0.78 CSNK2A1 (0.53) ALOX15KDM4EPTGS2CA12CA1
SCHEMBL5462195 0.76 SELL (0.42) TOP1SNCAALOX15SERPINE1KDM4E
SCHEMBL7789704 0.74 MEN1 (0.32)
SCHEMBL5461902 0.74 SMN1; SMN2 (0.64) ALOX15KDM4ECA12CA1CA2
SCHEMBL1318227 0.73 ALDH1A1 (0.44) ALOX15APPKDM4ECA12CA1
SCHEMBL11222081 0.72 ARG1 (0.53) TOP1ARG1SNCATRPA1ERCC1
SCHEMBL12285116 0.72 ARG1 (0.52) TOP1ARG1SNCATRPA1ERCC1
SCHEMBL5476577 0.71 CYP3A4 (0.52) SNCAALOX15APPHDAC6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 TOP1 3819/4885ARG1 179/4885SNCA 4333/4885

“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.