SCHEMBL5457631

SCHEMBL5457631

COc1cc[c]cc1-c1c(OC)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
TOP1 P11387 1/20 0.42
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.38
PIM1 P11309 1/20 0.38
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL695241 0.77 MAOA (0.42) CA1CA2CA7CA9CA12
SCHEMBL2372581 0.74 APP (0.47) CA1CA2CA7CA9CA12
SCHEMBL6618735 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7832190 0.74 CYP1A1 (0.51) ALDH1A1LMNAHTR7CYP3A4
SCHEMBL2752789 0.74 CA1 (0.44) CA1CA2CA7CA9TOP1
SCHEMBL2753431 0.73 HTR7 (0.41) CA1CA2CA7CA9TOP1
SCHEMBL4914823 0.73 TP53 (0.47) CA1CA2CA7CA9CA12
SCHEMBL6136819 0.73 HTR7 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8674 0.72 CA2 (0.46) CA1CA2CA7CA9CA12
SCHEMBL1644788 0.72 ABL1 (0.42) CA1CA2CA7CA9CA12

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 CA1 1230/4885CA2 1326/4885CA7 2854/4885

“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.