SCHEMBL1850132

SCHEMBL1850132

CCOC(=O)C1=C(C)SCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
MAPT P10636 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 9/20 0.40
GAA P10253 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 3/20 0.38
ESR1 P03372 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
NR4A1 P22736 1/20 0.37
FHIT P49789 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36

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
SCHEMBL5608026 0.77 KDM4E (0.59) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL669568 0.74 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL20366966 0.74 ALDH1A1 (0.49) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL234027 0.73 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL28283233 0.73 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL9548196 0.72 KDM4E (0.72) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL11635514 0.72 ALDH1A1 (0.39) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL5954131 0.71 KDM4E (0.53) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL669565 0.71 GAA (0.45) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL1626805 0.71 KDM4E (0.53) KDM4EMAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 US disclosed
EP-1467969-A2 DNA MINOR GROOVE BINDING COMPOUNDS The University of Strathclyde (GB) 2004-10-20 EP disclosed
WO-2003059881-A2 DNA MINOR GROOVE BINDING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2003-07-24 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM KDM4E 4120/4885MAPT 1908/4885MEN1 2072/4885

“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.