SCHEMBL3439467

SCHEMBL3439467

COC(=O)/C=C/c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.49
NQO1 P15559 1/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
GLS O94925 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC4 P56524 1/20 0.44
MEF2D Q14814 1/20 0.44
TTR P02766 1/20 0.44
APP P05067 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.42
PTPN1 P18031 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
SCHEMBL31389315 1.00 NR1H4 (0.49) NR1H4NQO1MMP1MMP2MMP9
SCHEMBL1164581 1.00 NR1H4 (0.49) NR1H4NQO1MMP1MMP2MMP9
SCHEMBL8985043 0.90 MMP1 (0.51) MMP1MMP2MMP9GLSHDAC4
SCHEMBL8985040 0.90 MMP1 (0.51) MMP1MMP2MMP9GLSHDAC4
SCHEMBL2174596 0.90 TTR (0.47) MMP1MMP2MMP9GLSMEN1
SCHEMBL2174598 0.90 TTR (0.47) MMP1MMP2MMP9GLSMEN1
SCHEMBL1165045 0.85 CA1 (0.51) NR1H4TTRAPPKDM4EPTPN1
SCHEMBL3674926 0.85 CA1 (0.51) NR1H4TTRAPPKDM4EPTPN1
SCHEMBL29952891 0.83 GLS (0.52) GLSBRD4
SCHEMBL209838 0.83 GLS (0.52) GLSBRD4

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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 NR1H4 1561/4885NQO1 450/4885MMP1 1022/4885

“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.