SCHEMBL21644526

SCHEMBL21644526

CC(C)c1cc(CCc2ccc(F)cc2)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
XBP1 P17861 1/20 0.43
HIF1A Q16665 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
DAO P14920 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
TRPA1 O75762 2/20 0.38
THRA P10827 1/20 0.37

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
SCHEMBL30779600 1.00 PTGS1 (0.47) PTGS1PTGS2LMNAMAPTXBP1
SCHEMBL21678005 0.85 TRPV1 (0.51) HSP90AA1HSP90AB1ALOX15TRPV1TRPA1
SCHEMBL21644611 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4EALOX15HSD17B10
SCHEMBL30779644 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4EALOX15HSD17B10
SCHEMBL8431907 0.75 PTGS1 (0.52) PTGS1PTGS2LMNAMAPTXBP1
SCHEMBL21644522 0.73 TUBB4A (0.52) PTGS2HTR2B
SCHEMBL30779635 0.73 TUBB4A (0.52) PTGS2HTR2B
SCHEMBL4065970 0.73 HSP90AA1 (0.54) PTGS1PTGS2LMNAHSP90AA1HSP90AB1
SCHEMBL12949905 0.71 THRA (0.51) PTGS2LMNAMAPTHIF1AHSP90AA1
SCHEMBL31545806 0.71 ALOX15 (0.45) LMNAMAPTHSP90AA1HSP90AB1KDM4E

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 PTGS1 330/4885PTGS2 507/4885LMNA 3431/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 PTGS1 330/4885PTGS2 507/4885LMNA 3431/4885

“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.