SCHEMBL3676476

SCHEMBL3676476

CCC1(CC)CC(=O)CC(CC)(CC)N1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL23354654 0.87 KDM4E (0.33) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL3676473 0.78 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL13414741 0.78 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL23354976 0.76 SMN1; SMN2 (0.38) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL6278692 0.74 KDM4E (0.37) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL18217981 0.73 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL15069993 0.73 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL13629764 0.71 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL2865601 0.71
SCHEMBL23616415 0.69 KDM4E (0.32) KDM4ELMNACYP2C19TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814336-B2 Oligomeric alkoxy amines ARKEMA FRANCE (FR) 2023-11-14 US disclosed
US-20230293734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT TDK CORPORATION (JP) 2023-09-21 US disclosed
US-20210139415-A1 OLIGOMERIC ALKOXYAMINES ARKEMA FRANCE (FR) 2021-05-13 US disclosed
US-8653175-B2 Terminally modified acrylic polymer and method for producing terminally modified acrylic polymer SEKISUI CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-8487079-B2 Use of mitochondria-targeted electron scavengers as anti-inflammatory agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-07-16 US disclosed
US-20130066003-A1 TERMINALLY MODIFIED ACRYLIC POLYMER AND METHOD FOR PRODUCING TERMINALLY MODIFIED ACRYLIC POLYMER YAMAGO SHIGERU (JP) 2013-03-14 US disclosed
WO-2011052759-A1 NOVEL NITROXYL RADICAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF 国立大学法人九州大学 (JP) 2011-05-05 WO disclosed
US-20100308273-A1 TERMINALLY MODIFIED ACRYLIC POLYMER AND METHOD FOR PRODUCING TERMINALLLY MODIFIED ACRYLIC POLYMER SEKISUI CHEMICAL CO., LTD. (JP) 2010-12-09 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 (4 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-20230293734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST AGENT AFF1, NOX3, CBR3 KDM4E 3304/4885LMNA 2494/4885CYP2C19 1859/4885
US-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL NOX4, TXN2, TXNRD2 KDM4E 984/4885LMNA 2893/4885CYP2C19 908/4885
US-20210139415-A1 OLIGOMERIC ALKOXYAMINES ALKBH3, ALK, ALKBH2 KDM4E 1274/4885LMNA 151/4885CYP2C19 3918/4885
US-11814336-B2 Oligomeric alkoxy amines ALKBH3, ALK, PNMT KDM4E 1306/4885LMNA 202/4885CYP2C19 3722/4885

“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.