SCHEMBL16702000

SCHEMBL16702000

CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.70
HSP90AB1 P08238 10/20 0.70
PIR O00625 1/20 0.41
POLQ O75417 1/20 0.41
ALB P02768 1/20 0.41
KDR P35968 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL16701921 0.99 HSP90AA1 (0.69) HSP90AA1HSP90AB1PIRPOLQALB
SCHEMBL16702078 0.95 HSP90AA1 (0.74) HSP90AA1HSP90AB1PIRPOLQALB
SCHEMBL16702447 0.94 HSP90AA1 (0.68) HSP90AA1HSP90AB1POLQALBKDR
SCHEMBL16701896 0.93 HSP90AA1 (0.68) HSP90AA1HSP90AB1POLQALBKDR
SCHEMBL16710347 0.93 HSP90AA1 (0.61) HSP90AA1HSP90AB1PIR
SCHEMBL16710343 0.93 HSP90AA1 (0.60) HSP90AA1HSP90AB1PIR
SCHEMBL18123533 0.88 HSP90AA1 (0.68) HSP90AA1HSP90AB1POLQALBKDR
SCHEMBL16710346 0.88 HSP90AA1 (0.64) HSP90AA1HSP90AB1PIR
SCHEMBL16702130 0.87 HSP90AA1 (0.72) HSP90AA1HSP90AB1POLQALBKDR
SCHEMBL16710342 0.87 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDR

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 3/4885PIR 2902/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885PIR 3022/4885
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885PIR 3022/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885PIR 3022/4885

“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.