SCHEMBL6918879

SCHEMBL6918879

COC(=O)c1ccc(C(C)=N)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.54
ALDH1A1 P00352 8/20 0.54
MAPT P10636 5/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 4/20 0.54
GAA P10253 2/20 0.54
ATM Q13315 2/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
XDH P47989 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NOTUM Q6P988 2/20 0.45

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
SCHEMBL2409598 0.85 KDM4E (0.58) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL45823 0.85 KDM4E (0.67) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL15657530 0.84 CA12 (0.62) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL15178389 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL24633599 0.83 KDM4E (0.75) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL6918212 0.83 MAPT (0.57) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL29927249 0.81 KDM4E (0.58) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL11328242 0.81 KDM4E (0.58) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL14528721 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL24339253 0.81 KDM4E (0.51) KDM4EALDH1A1MAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 KDM4E 875/4885ALDH1A1 1696/4885MAPT 2484/4885

“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.