SCHEMBL6919124

SCHEMBL6919124

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 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
Hydrochloric Acid SCHEMBL2409392 0.98 GRM1 (0.47) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL24370844 0.87 CA1 (0.47) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL29934095 0.87 ALDH1A1 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL23501649 0.87 ALDH1A1 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL2627855 0.86 CA1 (0.50) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL2502807 0.85 CA1 (0.49) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL8668961 0.84 GRM1 (0.54) GRM1TDP1MEN1KMT2ACYP1A2
SCHEMBL12584012 0.82 DPP4 (0.48) TDP1MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL6919526 0.82 MAPT (0.55) TDP1MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL3645994 0.82 DPP4 (0.48) TDP1MEN1KMT2ACYP1A2ALDH1A1

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 8 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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
WO-2016021742-A1 HETEROCYCLIC COMPOUNDS AS EP4 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 WO disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 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
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 GRM1 769/4885TDP1 2553/4885MEN1 3689/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 GRM1 769/4885TDP1 2553/4885MEN1 3689/4885

“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.