SCHEMBL21644528

SCHEMBL21644528

COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(O)cc2O)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
CYP3A4 P08684 2/20 0.66
ALDH1A1 P00352 1/20 0.66
TP53 P04637 1/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
ALOX12 P18054 1/20 0.66
MAPK1 P28482 1/20 0.66
FLT3 P36888 1/20 0.65
MAOB P27338 2/20 0.64
ACHE P22303 1/20 0.64
AR P10275 1/20 0.63
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58

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
SCHEMBL30779687 1.00 ABCG2 (0.66) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19086304 0.86 ABCG2 (0.78) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19086305 0.86 ABCG2 (0.78) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21644519 0.81 PDE4A (0.64) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30779527 0.81 PDE4A (0.64) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25217986 0.80 ABCG2 (1.00) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL633470 0.80 ABCG2 (1.00) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL633469 0.80 ABCG2 (1.00) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30383806 0.80 ABCG2 (1.00) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21678067 0.79 MAPT (0.58) ABCG2MEN1KMT2AMAPTSMN1; SMN2

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 ABCG2 821/4885MEN1 4724/4885KMT2A 4247/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 ABCG2 821/4885MEN1 4724/4885KMT2A 4247/4885

“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.