SCHEMBL3986077

SCHEMBL3986077

O=C1CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.62
CYP1A2 P05177 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
AHR P35869 4/20 0.50
PGR P06401 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1B1 Q16678 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PRKCI P41743 1/20 0.43
GRM5 P41594 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ALKBH3 Q96Q83 1/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL28655414 0.87 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL1746656 0.84 HSD17B1 (0.69) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL3987535 0.82 HSD17B1 (0.62) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL24570624 0.81 HSD17B1 (0.53) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL30584396 0.81 HSD17B1 (0.53) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL6192593 0.79 PARP10 (0.64) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL1745161 0.78 HSD17B1 (0.71) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL1030949 0.76 HSD17B1 (1.00) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL28655417 0.76 HSD17B1 (0.65) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL30456099 0.76 HSD17B1 (0.65) HSD17B1CYP1A2CYP11B1CYP11B2PGR

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 4023/4885CYP1A2 2684/4885CYP11B1 1981/4885

“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.