SCHEMBL21644519

SCHEMBL21644519

COc1ccc(OC)c(/C=C/C(=O)c2cc(C(C)C)c(O)cc2O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64
PDE4D Q08499 1/20 0.64
MAPT P10636 4/20 0.61
NPC1 O15118 2/20 0.61
MEN1 O00255 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
APP P05067 1/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
CHRNA7 P36544 1/20 0.59
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NR1H4 Q96RI1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL30779527 1.00 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5084266 0.84 APP (0.82) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5084271 0.84 APP (0.82) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL21644528 0.81 ABCG2 (0.66) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL30779687 0.81 ABCG2 (0.66) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7194872 0.80 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7194877 0.80 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5431311 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5431315 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5137643 0.79 MAOB (0.75) PDE4APDE4BPDE4CPDE4DMAPT

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 PDE4A 3498/4885PDE4B 4055/4885PDE4C 3779/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 PDE4A 3498/4885PDE4B 4055/4885PDE4C 3779/4885

“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.