SCHEMBL3989223

SCHEMBL3989223

COc1ccc(-c2ccc3c(c2)CCC3=O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.62
PDE4D Q08499 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49

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
SCHEMBL23758426 0.90 HSD17B1 (0.57) HSD17B1PDE4DCYP1A2CYP11B1CYP11B2
SCHEMBL3988961 0.88 HSD17B1 (0.56) HSD17B1PDE4DCYP1A2CYP11B1CYP11B2
SCHEMBL4096325 0.86 HSD17B1 (0.62) HSD17B1PDE4DCYP1A2CYP11B1CYP11B2
SCHEMBL4090796 0.85 HSD17B1 (0.85) HSD17B1PDE4DCYP1A2CYP11B1CYP11B2
SCHEMBL3989070 0.83 KDM4E (0.56) HSD17B1PDE4DTUBB4ATUBBTUBA3C
SCHEMBL28655414 0.82 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL1745460 0.82 HSD17B1 (0.63) HSD17B1CYP1A2CYP11B1CYP11B2KDM4E
SCHEMBL3986165 0.81 PTPRC (0.59) HSD17B1PDE4DCYP1A2CYP11B1CYP11B2
SCHEMBL3992710 0.80 CYP1A1 (0.55) HSD17B1PDE4DCYP1A2KDM4EALDH1A1
SCHEMBL2585417 0.80 HSD17B1 (0.52) HSD17B1PDE4DTUBB4ATUBBTUBA3C

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 HSD17B1 4023/4885PDE4D 177/4885CYP1A2 2684/4885

“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.