SCHEMBL5462155

SCHEMBL5462155

Oc1c[c]cc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
CYP3A4 P08684 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.32
XDH P47989 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
AURKA O14965 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL943239 0.76 ABCG2 (0.33) ABCG2
SCHEMBL944406 0.74 ABCG2 (0.32) ABCG2
SCHEMBL943947 0.74 AOC3 (0.36) AOC3ABCG2
SCHEMBL945494 0.69
SCHEMBL8084872 0.69 NQO1 (0.40) CYP3A4
SCHEMBL29547077 0.65 AOC3 (0.40) AOC3CYP3A4ABCG2
SCHEMBL6256592 0.65 AOC3 (0.40) AOC3CYP3A4ABCG2
SCHEMBL25166284 0.64 CYP3A4 (0.38) AOC3CYP3A4ABCG2XDHSLC22A12
SCHEMBL14284000 0.64 CYP3A4 (0.38) AOC3CYP3A4XDHSLC22A12AURKA
SCHEMBL14363137 0.64 SELL (0.41) AOC3CYP3A4

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 6 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
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US 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 (2 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 AOC3 1039/4885CYP3A4 3320/4885ABCG2 2024/4885
US-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 AOC3 4412/4885CYP3A4 858/4885ABCG2 2354/4885

“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.