SCHEMBL13405608

SCHEMBL13405608

COC(=O)c1ccc2c(c1)CN(C(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC8 Q9BY41 2/20 0.46
▸ ACACB O00763 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ SRD5A1 P18405 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ NAMPT P43490 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13405607 0.94 HDAC6 (0.52) HDAC6HDAC8ACACBLIPESRD5A1
SCHEMBL309165 0.82 MAOA (0.50) ACACBLIPESRD5A1SRD5A2ALDH1A1
SCHEMBL27949705 0.80 ACACB (0.45) HDAC6HDAC8ACACBLIPESRD5A1
SCHEMBL13181779 0.80 ACACB (0.47) HDAC6HDAC8ACACBLIPESRD5A1
SCHEMBL12608358 0.79 HDAC6 (0.50) HDAC6HDAC8ACACBSRD5A1SRD5A2
SCHEMBL2277894 0.79 NR1H2 (0.67) HDAC6HDAC8NAMPTNR1H2KDM4E
SCHEMBL29589913 0.79 NR1H2 (0.67) HDAC6HDAC8NAMPTNR1H2KDM4E
SCHEMBL17560214 0.79 NOTUM (0.56) HDAC6HDAC8ACACBNAMPTKDM4E
SCHEMBL30810841 0.79 HDAC6 (0.51) HDAC6HDAC8ACACBNAMPTNR1H2
SCHEMBL2277266 0.79 HDAC6 (0.51) HDAC6HDAC8ACACBNAMPTNR1H2

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-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 — — US disclosed
US-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 — — US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 — — US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 — — 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-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG HDAC6 260/4885HDAC8 429/4885ACACB 1152/4885

“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.

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