SCHEMBL3044134

SCHEMBL3044134

COc1cc(/C=C(/C(=O)O)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 2/20 0.74
AKR1C2 P52895 2/20 0.67
ALDH1A1 P00352 4/20 0.61
KRAS P01116 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 2/20 0.54
AKR1C3 P42330 2/20 0.52
PTGS2 P35354 1/20 0.52
AKR1C1 Q04828 1/20 0.52
KDM4E B2RXH2 3/20 0.52
RELA Q04206 1/20 0.49
TUBB1 Q9H4B7 3/20 0.48
HTR1A P08908 1/20 0.47
HPGD P15428 1/20 0.47
HTR2C P28335 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL3044137 1.00 MEN1 (0.74) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL9192011 0.87 MEN1 (0.76) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL9192013 0.87 MEN1 (0.76) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL6379401 0.86 HTT (0.69) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL1439492 0.83 MEN1 (0.59) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL1439488 0.83 MEN1 (0.59) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL27540247 0.82 MEN1 (0.68) MEN1KMT2APOLBAKR1C2HTT
SCHEMBL31541141 0.82 MEN1 (0.68) MEN1KMT2APOLBAKR1C2HTT
SCHEMBL27663905 0.81 MEN1 (0.67) MEN1KMT2APOLBAKR1C2ALDH1A1
SCHEMBL27516623 0.81 MEN1 (0.67) MEN1KMT2APOLBAKR1C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-8476255-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-07-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
EP-2205563-A2 NOVEL HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-14 EP disclosed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 WO disclosed
WO-2009047615-A2 NOVEL HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-16 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-20100222379-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC5, HDAC2, HDAC1 MEN1 3300/4885KMT2A 94/4885POLB 297/4885

“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.