SCHEMBL3380937

SCHEMBL3380937

COC(=O)CCCCCCC(=O)c1ccc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LTB4R Q15722 1/20 0.38

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
SCHEMBL16880935 0.90 KDM4E (0.50) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL30785982 0.83 KDM4E (0.53) ALDH1A1KDM4ERAB9AHPGDMEN1
SCHEMBL22257011 0.83 KDM4E (0.53) ALDH1A1KDM4ERAB9AHPGDMEN1
SCHEMBL14280840 0.80 RAB9A (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL19127212 0.80 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ASMN1; SMN2HDAC1
SCHEMBL3384105 0.80 LTB4R (0.52) ALDH1A1SMN1; SMN2HDAC1HDAC8LTB4R
SCHEMBL30262455 0.79 KDM4E (0.51) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL26814297 0.79 KDM4E (0.51) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL14054902 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL4306915 0.77 SMN1; SMN2 (0.66) ALDH1A1KDM4ERAB9ASMN1; SMN2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885KDM4E 123/4885RAB9A 2909/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885KDM4E 123/4885RAB9A 2909/4885

“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.