SCHEMBL21644595

SCHEMBL21644595

CC(C)c1cc(C(=O)N(C)Cc2cccc(F)c2)c(O)cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.76
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP3A7 P24462 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP3A43 Q9HB55 1/20 0.56
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SCD5 Q86SK9 1/20 0.49
RIPK1 Q13546 1/20 0.48
LIPE Q05469 1/20 0.47

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
SCHEMBL30779662 1.00 HSP90AA1 (0.76) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL21644669 0.87 HSP90AA1 (0.57) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL30779617 0.87 HSP90AA1 (0.57) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL21644646 0.86 HSP90AA1 (0.77) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL19183132 0.86 HSP90AA1 (1.00) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL21644627 0.86 HSP90AA1 (0.62) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL21644529 0.84 HSP90AA1 (0.63) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL30779664 0.84 HSP90AA1 (0.63) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL21644551 0.80 HSP90AA1 (0.70) HSP90AA1HDAC3HDAC1HDAC7HDAC6
SCHEMBL21644586 0.79 HSP90AA1 (0.52) HSP90AA1HDAC3HDAC1HDAC7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 US 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 (2 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HDAC3 1288/4885HDAC1 319/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HDAC3 1288/4885HDAC1 319/4885

“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.