SCHEMBL13414741

SCHEMBL13414741

CCC1(CC)CC(=O)CC(CC)(CC)N1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13629764 0.87 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL15071286 0.85
SCHEMBL3676473 0.80 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL3676476 0.78 KDM4E (0.33) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL15069993 0.75 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL18217981 0.75 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL15071289 0.74 SMN1; SMN2 (0.39) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL23354654 0.72 KDM4E (0.33) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL15069995 0.69 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL15314183 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557927-B2 Comb-shaped graft copolymers and methods of manufacturing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-10-15 US disclosed
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-20130165592-A1 COMB-SHAPED GRAFT COPOLYMERS AND METHODS OF MANUFACTURING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-06-27 US disclosed
US-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2010-03-25 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 (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-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL NOX4, TXN2, TXNRD2 KDM4E 984/4885LMNA 2893/4885CYP2C19 908/4885

“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.