SCHEMBL1666444

SCHEMBL1666444

CCOC(=O)C1CC(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
TLR4 O00206 1/20 0.41
RAB9A P51151 1/20 0.40
ALOX12 P18054 1/20 0.39
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL7127925 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL3196831 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL1134463 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL23796781 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL1238701 0.79 BRD4 (0.42) ALDH1A1KMT2ATLR4
SCHEMBL28883603 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL14730697 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL12606807 0.76 TLR4 (0.52) ALDH1A1KMT2AKDM4EMEN1MAPT
Ethylene SCHEMBL11788681 0.76 BRD4 (0.40) ALDH1A1KMT2ATLR4
SCHEMBL321283 0.76 TLR4 (0.52) ALDH1A1KMT2AKDM4EMEN1MAPT

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
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN disclosed
US-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
EP-2309860-B1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2014-01-08 EP disclosed
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8314137-B2 Monocyclic cyanoenones and methods of use thereof TRUSTESS OF DARTMOUTH COLLEGE (US) 2012-11-20 US disclosed
US-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-11 US disclosed
EP-2309860-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF Trustees of Dartmouth College (US) 2011-04-20 EP disclosed
WO-2010011782-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-01-28 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 (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-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 ALDH1A1 1718/4885KMT2A 3321/4885KDM4E 2521/4885
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 ALDH1A1 1718/4885KMT2A 3321/4885KDM4E 2521/4885

“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.