SCHEMBL3989088

SCHEMBL3989088

COc1ccc2c(c1-c1ccc(Oc3ccccc3)cc1)CCC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
GSTP1 P09211 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.39
ERN1 O75460 1/20 0.39
S100A4 P26447 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL3990843 0.92 BRD4 (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3991559 0.88 KDM4E (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3988959 0.80 BRD4 (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3986153 0.79 KDM4E (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL21126347 0.76 KDM4E (0.63) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3985693 0.75 KDM4E (0.65) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6301925 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3987847 0.74 GSTP1 (0.49) GSTP1PTGS2LTA4HMEN1KMT2A
SCHEMBL6302105 0.73 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL13923767 0.69 BRD4 (0.42) KDM4EALDH1A1HPGDGAAMAPT

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 KDM4E 2302/4885ALDH1A1 512/4885HPGD 2608/4885

“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.