SCHEMBL3988959

SCHEMBL3988959

COc1ccc(-c2c(OC)ccc3c2CCCC3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 7/20 0.48
HPGD P15428 4/20 0.48
HSD17B1 P14061 1/20 0.47
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3991559 0.91 KDM4E (0.58) BRD4ALDH1A1KDM4EHPGDHSD17B1
SCHEMBL3990843 0.88 BRD4 (0.45) BRD4ALDH1A1KDM4EHPGDHSD17B1
SCHEMBL6301925 0.83 ALDH1A1 (0.51) BRD4ALDH1A1KDM4EHPGDHSD17B1
SCHEMBL3987493 0.81 KDM4E (0.51) BRD4ALDH1A1KDM4EHPGDHSD17B1
SCHEMBL3989088 0.80 KDM4E (0.51) BRD4ALDH1A1KDM4EHPGDHSD17B1
SCHEMBL21126347 0.79 KDM4E (0.63) BRD4ALDH1A1KDM4EHPGDGAA
SCHEMBL6302072 0.78 BRD4 (0.52) BRD4ALDH1A1KDM4EHPGDHSD17B1
SCHEMBL3986153 0.77 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B1GAA
SCHEMBL21126351 0.75 ADRA1A (0.42) BRD4ALDH1A1PTGS1PTGS2LMNA
SCHEMBL611321 0.75 ALDH1A1 (0.81) BRD4ALDH1A1KDM4EHPGDHSD17B1

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-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 US disclosed
EP-1583530-A4 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIV VIRGINIA (US) 2008-07-23 EP disclosed
EP-1583530-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-10-12 EP disclosed
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-03 US disclosed
WO-2003061655-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-07-31 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-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors ADORA1, ADORA2A, ADORA2B BRD4 1700/4885ALDH1A1 512/4885KDM4E 2302/4885

“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.