SCHEMBL14985103

SCHEMBL14985103

COC(=O)/C=C/C(=O)N(CCCCCCCNC(=O)OC(C)(C)C)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CYP3A4 P08684 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
IDO1 P14902 1/20 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
SCHEMBL14985020 1.00 DRD2 (0.40) DRD2TDP1NPSR1CA12CA1
SCHEMBL14985021 1.00 DRD2 (0.40) DRD2TDP1NPSR1CA12CA1
SCHEMBL14985081 1.00 DRD2 (0.40) DRD2TDP1NPSR1CA12CA1
SCHEMBL14985092 0.99 DRD2 (0.39) DRD2TDP1NPSR1CA12CA1
SCHEMBL14985018 0.96 TDP1 (0.39) DRD2TDP1NPSR1CA12CA1
SCHEMBL14974018 0.91 CKS1B (0.40) DRD2TDP1NPSR1CA12CA1
SCHEMBL14974020 0.91 CKS1B (0.40) DRD2TDP1NPSR1CA12CA1
SCHEMBL14985095 0.90 MAPT (0.40) DRD2TDP1NPSR1CKS1BSKP1
SCHEMBL14981923 0.82 ZDHHC2 (0.42)
SCHEMBL14981918 0.82 ZDHHC2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735622-B2 Histone demethylase inhibitors and methods for using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-05-27 US disclosed
US-20130137720-A1 HISTONE DEMETHYLASE INHIBITORS AND METHODS FOR USING THE SAME The Regents of the University of Colorado, a body corporated (US) 2013-05-30 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-20130137720-A1 HISTONE DEMETHYLASE INHIBITORS AND METHODS FOR USING THE SAME KDM1A, KDM3A, KDM7A DRD2 4512/4885TDP1 884/4885NPSR1 4301/4885

“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.