SCHEMBL9768009

SCHEMBL9768009

CCC(C)NCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
DBH P09172 1/20 0.49
RECQL P46063 1/20 0.49
ALPG P10696 7/20 0.48
ALPL P05186 5/20 0.48
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
PTGS2 P35354 1/20 0.46
XDH P47989 1/20 0.45
DPP4 P27487 1/20 0.42

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
SCHEMBL9768178 0.85 KDM4E (0.53) KDM4EGAADBHRECQLALPG
SCHEMBL29391092 0.85 KDM4E (0.53) KDM4EGAADBHRECQLALPG
Hydrochloric Acid SCHEMBL11290306 0.84 KDM4E (0.51) KDM4EGAADBHRECQLALPG
SCHEMBL10071964 0.81 SIGMAR1 (0.53) ALPGALPLPOLBDPP4
SCHEMBL4983444 0.79 DPP4 (0.64) KDM4EGAACA12CA1CA2
Hydrochloric Acid SCHEMBL4987086 0.78 DPP4 (0.62) KDM4EGAACA12CA1CA2
SCHEMBL6046293 0.77 ALPG (0.52) KDM4EGAADBHRECQLALPG
Adrenalone SCHEMBL123124 0.76 ALPG (0.55) KDM4EGAADBHRECQLALPG
Adrenalone SCHEMBL29550997 0.76 ALPG (0.55) KDM4EGAADBHRECQLALPG
SCHEMBL9768252 0.76 KDM4E (0.50) KDM4EGAADBHRECQLALPG

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
US-9266817-B2 Catecholamine derivatives for obesity and neurological disorders EMORY UNIVERSITY (US) 2016-02-23 US disclosed
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-06 US disclosed
US-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 US disclosed
WO-2010107866-A2 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2010-09-23 WO disclosed
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 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-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT KDM4E 2077/4885GAA 294/4885DBH 14/4885
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT KDM4E 2077/4885GAA 294/4885DBH 14/4885

“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.