SCHEMBL5468261

SCHEMBL5468261

COc1ccc(Br)[c]c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 5/20 0.35
CYP3A4 P08684 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 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
SCHEMBL28169114 0.77 CA1 (0.44) ERN1ALDH1A1CA1CA2TP53
SCHEMBL15641380 0.76 CA2 (0.35) ERN1ALDH1A1CA1CA2MAPT
SCHEMBL3858454 0.76 MAPT (0.38) ALDH1A1CA1CA2TP53TSHR
SCHEMBL1764742 0.70 ERN1 (0.39) ERN1ALDH1A1CA1CA2TP53
SCHEMBL29800758 0.65 CA2 (0.47) ERN1ALDH1A1CA1CA2TP53
SCHEMBL69957 0.65 MAPT (0.62) ERN1ALDH1A1CA1CA2TP53
SCHEMBL10398173 0.65 CA2 (0.47) ERN1ALDH1A1CA1CA2TP53
SCHEMBL2588497 0.64 ERN1 (0.60) ERN1ALDH1A1TP53PTGS2ALOX5
SCHEMBL21838216 0.62 CA2 (0.35) ERN1ALDH1A1CA1CA2MAPT
SCHEMBL6488021 0.62 CA1 (0.38) ALDH1A1CA1CA2TP53TSHR

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 ERN1 784/4885ALDH1A1 1861/4885CA1 1230/4885

“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.