SCHEMBL16701976

SCHEMBL16701976

C=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1OC(C)=O

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.75
HSP90AB1 P08238 14/20 0.75
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SRD5A1 P18405 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1607463 0.92 HSP90AA1 (0.87) HSP90AA1HSP90AB1KDM4E
SCHEMBL16702081 0.92 HSP90AA1 (0.84) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL6936022 0.88 HSP90AA1 (0.91) HSP90AA1HSP90AB1KDM4E
SCHEMBL18123496 0.88 HSP90AA1 (0.72) HSP90AA1HSP90AB1
SCHEMBL16702095 0.87 HSP90AA1 (0.71) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL16702631 0.87 HSP90AA1 (0.88) HSP90AA1HSP90AB1KDM4E
SCHEMBL16702167 0.87 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL16710407 0.86 HSP90AA1 (0.86) HSP90AA1HSP90AB1KDM4E
SCHEMBL1606209 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4E
SCHEMBL1606231 0.85 HSP90AA1 (0.75) HSP90AA1HSP90AB1KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585267-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS The University of Kansas (US) 2025-07-16 EP disclosed
EP-3068778-B1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIV KANSAS (US) 2025-02-19 EP disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US disclosed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US disclosed
EP-3068778-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS The University of Kansas (US) 2016-09-21 EP disclosed
WO-2015070238-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070238-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS THE UNIVERSITY OF KANSAS (US) 2015-05-14 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 (4 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-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885KDM4E 1906/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885KDM4E 1792/4885
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885KDM4E 1792/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885KDM4E 1792/4885

“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.