SCHEMBL4336350

SCHEMBL4336350

COc1cc(C(=O)O)c(NC(C)=O)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
POLB P06746 2/20 0.59
USP2 O75604 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PKM P14618 1/20 0.51
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
ABCB1 P08183 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TPMT P51580 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSV O60911 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
SCHEMBL16784742 0.83 MEN1 (0.56) KDM4EPOLBUSP2HSD17B10MAPT
SCHEMBL25039858 0.82 KDM4E (0.54) KDM4EPOLBUSP2HSD17B10PKM
SCHEMBL13064989 0.80 TPMT (0.54) KDM4EPOLBUSP2HSD17B10PKM
SCHEMBL8622541 0.79 TUBB4A (0.57) KDM4EPOLBUSP2HSD17B10RXFP1
SCHEMBL27972004 0.77 CTSV (0.58) KDM4EPOLBUSP2HSD17B10PKM
SCHEMBL1438926 0.77 PKM (0.62) KDM4EPOLBUSP2HSD17B10PKM
SCHEMBL4299733 0.75 PKM (0.60) KDM4EPOLBUSP2HSD17B10PKM
SCHEMBL8541790 0.75 KDM4E (0.65) KDM4EHSD17B10LCKFYNCYP1A2
SCHEMBL11593017 0.75 MEN1 (0.58) KDM4EHSD17B10LCKFYNMAPT
SCHEMBL8911580 0.74 PKM (0.58) KDM4EPOLBUSP2HSD17B10PKM

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-8343988-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V (BE) 2013-01-01 US disclosed
US-8268833-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-18 US disclosed
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 US disclosed
US-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 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-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 KDM4E 89/4885POLB 598/4885USP2 1289/4885
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 KDM4E 89/4885POLB 598/4885USP2 1289/4885

“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.