SCHEMBL16710342

SCHEMBL16710342

CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)cc1CC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.59
HSP90AB1 P08238 9/20 0.59
HTR1A P08908 2/20 0.42
HTR2A P28223 1/20 0.42
P2RY12 Q9H244 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KDR P35968 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL16710347 0.94 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL16702447 0.93 HSP90AA1 (0.68) HSP90AA1HSP90AB1HTR1AHTR2AP2RY12
SCHEMBL16710343 0.93 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL16710346 0.93 HSP90AA1 (0.64) HSP90AA1HSP90AB1HTR1AHTR2AP2RY12
SCHEMBL16710348 0.92 HSP90AA1 (0.59) HSP90AA1HSP90AB1P2RY12
SCHEMBL16702000 0.87 HSP90AA1 (0.70) HSP90AA1HSP90AB1KDR
SCHEMBL16702078 0.87 HSP90AA1 (0.74) HSP90AA1HSP90AB1P2RY12KDRHTT
SCHEMBL16701921 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1KDR
SCHEMBL16702118 0.86 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALDH1A1GAAKDR
SCHEMBL16701896 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1P2RY12MAPTKDR

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-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-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
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 3/4885HTR1A 2464/4885
US-10030006-B2 Coumarin based Hsp90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885HTR1A 2470/4885
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885HTR1A 2470/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HSP90AA1 2/4885HSP90AB1 3/4885HTR1A 2470/4885

“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.