SCHEMBL3049372

SCHEMBL3049372

COc1ccc(CN2C(=O)CCc3cc(O)c(OC)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.52
CMA1 P23946 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 1/20 0.44
APAF1 O14727 1/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43

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
SCHEMBL3171208 0.89 POLB (0.56) HDAC6
SCHEMBL3061603 0.87 CMA1 (0.52) HDAC6CMA1L3MBTL1MEN1KMT2A
SCHEMBL3054425 0.84 CA9 (0.54) HDAC6
SCHEMBL3050378 0.84 CA12 (0.47) CMA1L3MBTL1GSK3AGSK3BMEN1
SCHEMBL3041836 0.82 CYP1A2 (0.50) HDAC6L3MBTL1MEN1KMT2AGAA
SCHEMBL29173745 0.82 CMA1 (0.54) HDAC6CMA1L3MBTL1GSK3AGSK3B
SCHEMBL3055179 0.80 HDAC6 (0.55) HDAC6
SCHEMBL29173729 0.79 HDAC1 (0.63) HDAC6CMA1L3MBTL1GSK3AGSK3B
SCHEMBL423348 0.79 CMA1 (0.50) CMA1L3MBTL1GSK3AGSK3BMEN1
SCHEMBL423339 0.79 CMA1 (0.50) HDAC6CMA1L3MBTL1GSK3AGSK3B

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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 (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-20100222299-A1 COMPOUND MKI67, VHL, MYC HDAC6 540/4885CMA1 1896/4885L3MBTL1 2523/4885

“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.