SCHEMBL10447489

SCHEMBL10447489

CC(C)c1cccc(C(=O)CCC(=O)NO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.48
HDAC1 Q13547 6/20 0.47
HDAC8 Q9BY41 6/20 0.47
TP53BP1 Q12888 1/20 0.45
USP5 P45974 1/20 0.44
KAT6A Q92794 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MDM4 O15151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CA5A P35218 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL10447904 0.81 USP5 (0.67) MMP1HDAC1HDAC8USP5HDAC4
SCHEMBL6572573 0.81 HPGD (0.46) HDAC8TP53BP1USP5KAT6AKDM4E
SCHEMBL10172211 0.78 HSD17B3 (0.49) TP53BP1USP5KAT6AKDM4EMAPT
SCHEMBL4595838 0.78 MAPT (0.59) TP53BP1USP5KAT6AKDM4EALDH1A1
SCHEMBL14277038 0.78 KDM4E (0.58) MMP1HDAC1HDAC8KDM4EALDH1A1
SCHEMBL6580274 0.77 TP53BP1 (0.48) HDAC8TP53BP1USP5KAT6AKDM4E
SCHEMBL14367222 0.77 HDAC6 (0.59) HDAC1HDAC8TP53BP1KAT6AKDM4E
SCHEMBL4227994 0.77 TP53BP1 (0.48) HDAC8TP53BP1KAT6AKDM4EMDM4
SCHEMBL8539094 0.76 MMP1 (0.68) MMP1HDAC1HDAC8TP53SMN1; SMN2
SCHEMBL18552569 0.76 TP53BP1 (0.47) HDAC8TP53BP1KAT6AKDM4EMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754237-B2 Bifunctional histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-17 US disclosed
US-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-01-17 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 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 (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-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 MMP1 531/4885HDAC1 1/4885HDAC8 11/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 MMP1 531/4885HDAC1 1/4885HDAC8 11/4885

“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.