SCHEMBL6045009

SCHEMBL6045009

COC(=O)N1C(C)(C)CCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.38
USP2 O75604 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8852955 0.91 CYP3A4 (0.44) CYP3A4MAPK1TSHRUSP2CYP1A2
SCHEMBL9598060 0.71 CYP3A4 (0.43) CYP3A4TSHRUSP2CYP1A2CYP2C9
SCHEMBL14369404 0.70 ESR1 (0.41) CYP3A4MAPK1TSHRCYP1A2MEN1
SCHEMBL4852108 0.70 FFAR3 (0.41) TSHRCYP2C19
SCHEMBL24248777 0.70 CYP3A4 (0.36) CYP3A4MAPK1TSHRUSP2CYP1A2
SCHEMBL7575320 0.69 MAPK1 (0.39) CYP3A4MAPK1TSHRMEN1KMT2A
SCHEMBL16415664 0.69 FFAR3 (0.39) TSHRCYP2C19
SCHEMBL14930639 0.69 USP2 (0.42) CYP3A4MAPK1TSHRUSP2CYP1A2
SCHEMBL24249342 0.68 CYP3A4 (0.38) CYP3A4USP2CYP1A2CYP2C9MEN1
SCHEMBL16468545 0.67 CTSK (0.42) TSHRUSP2MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333907-A2 MIRNA INHIBITORS FOR PREVENTING AND TREATING ANEURYSMS, HYPERTENSION, ARDS AND OTHER DISEASES ASSOCIATED WITH ENDOTHELIAL DYSFUNCTION The Regents of the University of California (US) 2024-03-13 EP disclosed
WO-2022236161-A2 MIRNA INHIBITORS FOR PREVENTING AND TREATING ANEURYSMS, HYPERTENSION, ARDS AND OTHER DISEASES ASSOCIATED WITH ENDOTHELIAL DYSFUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-10 WO disclosed
US-20210278391-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR AND METABOLIC CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-09-09 US disclosed
WO-2018144700-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR AND METABOLIC CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
US-9233164-B2 Water soluble fullerene formulations and methods of use thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2016-01-12 US disclosed
US-20130323188-A1 Water Soluble Fullerene Formulations and Methods of Use Thereof BOARD OF THE REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2013-12-05 US disclosed
WO-2012097245-A1 WATER SOLUBLE FULLERENE FORMULATIONS AND METHODS OF USE THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-07-19 WO disclosed
US-20060276385-A1 Anti-inflammatory agents and methods of their use JO HANJOONG 2006-12-07 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-20130323188-A1 Water Soluble Fullerene Formulations and Methods of Use Thereof TP53, SLC46A1, SLC40A1 CYP3A4 2066/4885MAPK1 4808/4885TSHR 4593/4885

“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.