SCHEMBL4806345

SCHEMBL4806345

CC1CCC2(CC1)OCC(C)(C)OO2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3705297 0.82
SCHEMBL4809525 0.76
SCHEMBL4802546 0.76
SCHEMBL16770070 0.76 KDM4E (0.36) KDM4EPKM
SCHEMBL3702908 0.71
SCHEMBL24955577 0.69 KDM4E (0.36) KDM4EPKM
SCHEMBL13327397 0.69
SCHEMBL14609318 0.68 KDM4E (0.46) KDM4EPKM
SCHEMBL2228600 0.67 ALDH1A1 (0.40) KDM4EPKM
SCHEMBL13347183 0.66 KDM4E (0.34) KDM4EPKM

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-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
WO-2007144487-A2 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES SANOFI-AVENTIS (FR) 2007-12-21 WO 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-20120122923-A1 DUAL MOLECULES CONTAINING A PEROXIDE DERIVATIVE, THEIR SYNTHESIS AND THERAPEUTIC USES DUOX2, DUOX1, CYP11B2 KDM4E 4717/4885PKM 718/4885

“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.