SCHEMBL426484

SCHEMBL426484

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
RECQL P46063 5/20 0.71
GAA P10253 2/20 0.71
DBH P09172 1/20 0.71
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
MAPT P10636 4/20 0.52
POLB P06746 2/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
PTGS2 P35354 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
XDH P47989 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 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
SCHEMBL4953998 1.00 KDM4E (0.71) KDM4ERECQLGAADBHCA12
SCHEMBL10042363 0.85 GAA (0.52) KDM4ERECQLGAADBHCA12
SCHEMBL11536841 0.85 KDM4E (0.67) KDM4ERECQLGAADBHCA12
SCHEMBL8471397 0.83 KDM4E (1.00) KDM4ERECQLGAADBHCA12
SCHEMBL28987669 0.83 HSP90AA1 (0.50) KDM4ERECQLGAADBHCA12
Hydrochloric Acid SCHEMBL11290292 0.83 KDM4E (0.65) KDM4ERECQLGAADBHCA12
SCHEMBL2988488 0.82 KDM4E (0.74) KDM4ERECQLGAADBHCA12
SCHEMBL8982946 0.80 KDM4E (0.71) KDM4ERECQLGAADBHCA12
Hydrochloric Acid SCHEMBL11288312 0.78 KDM4E (0.58) KDM4ERECQLGAADBHCA12
SCHEMBL9407168 0.77 KDM4E (0.67) KDM4ERECQLGAADBHCA12

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 13 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-9266817-B2 Catecholamine derivatives for obesity and neurological disorders EMORY UNIVERSITY (US) 2016-02-23 US disclosed
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-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-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
US-20120022086-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2012-01-26 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
WO-2010107866-A2 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS EMORY UNIVERSITY (US) 2010-09-23 WO disclosed
US-7462658-B2 Aging-resistant coatings and adhesive composites HENKEL AG & CO. KGAA (DE) 2008-12-09 US disclosed
US-20070231582-A1 AGING-RESISTANT COATINGS AND AHESIVE COMPOSITES HENKEL AG & CO. KGAA (DE) 2007-10-04 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 2077/4885RECQL 3631/4885GAA 294/4885
US-20140329907-A1 CATECHOLAMINE DERIVATIVES FOR OBESITY AND NEUROLOGICAL DISORDERS BDNF, NTRK2, COMT KDM4E 2077/4885RECQL 3631/4885GAA 294/4885

“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.