SCHEMBL3987368

SCHEMBL3987368

COc1ccc(-c2ccc3c(c2OC)CCCC3=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B1 P14061 1/20 0.50
PDE4B Q07343 4/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
HSD17B10 Q99714 1/20 0.46
BRD4 O60885 1/20 0.46
CYP19A1 P11511 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 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
SCHEMBL611321 0.85 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHSD17B1BRD4
SCHEMBL1274675 0.82 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHSD17B1BRD4
SCHEMBL6112770 0.82 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHSD17B1BRD4
SCHEMBL3987493 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B1BRD4
SCHEMBL11957286 0.77 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B1BRD4
SCHEMBL3986153 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B1PDE4B
SCHEMBL4119937 0.75 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B1HSD17B10
SCHEMBL1275310 0.75 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B1HSD17B10
SCHEMBL4121479 0.75 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B1BRD4
SCHEMBL31421857 0.75 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B1HSD17B10

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.