SCHEMBL12299659

SCHEMBL12299659

COC1=C(C)C(c2ccc(OC3CCCCC3)cc2)N(c2ccc3nc[nH]c3c2)OC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 18/20 0.42
▸ QPCTL Q9NXS2 2/20 0.40
▸ MMP12 P39900 1/20 0.38
▸ CDK1 P06493 1/20 0.35

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
SCHEMBL12300584 0.90 QPCT (0.40) QPCTQPCTL
SCHEMBL13643310 0.86 QPCT (0.51) QPCTQPCTL
SCHEMBL12344414 0.85 QPCT (0.42) QPCTQPCTL
SCHEMBL12344548 0.84 QPCT (0.52) QPCTQPCTL
SCHEMBL12299666 0.83 QPCT (0.42) QPCTQPCTL
SCHEMBL13643286 0.82 QPCT (0.53) QPCTQPCTL
SCHEMBL13643272 0.81 MMP12 (0.38) QPCTQPCTLMMP12
SCHEMBL12300588 0.80 QPCT (0.42) QPCT
SCHEMBL2383005 0.78 QPCT (0.51) QPCTQPCTL
SCHEMBL2383772 0.75 QPCT (0.49) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2012-11-08 — — US disclosed
US-8269019-B2 Inhibitors PROBIODRUG AG (DE) 2012-09-18 — — US disclosed
US-20110224254-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 — — 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-20110224254-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885QPCTL 8/4885MMP12 3622/4885
US-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS QPCT 2/4885QPCTL 8/4885MMP12 3622/4885

“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.

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