SCHEMBL21644545

SCHEMBL21644545

COc1ccc(COc2cc(OCc3ccc(OC)cc3)c(C(C)C)cc2C(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 6/20 0.44
MAOA P21397 4/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
PREP P48147 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL184621 0.90 RAB9A (0.52) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL383729 0.86 MAOB (0.55) SMN1; SMN2CYP3A4TSHRMAOBMAPT
SCHEMBL15326014 0.86 HDAC8 (0.46) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL22354782 0.86 SMN1; SMN2 (0.49) HDAC8NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL14680143 0.80 MAOB (0.57) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL15320729 0.79 NPC1 (0.48) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL30779641 0.79 NPC1 (0.48) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL20509060 0.79 PDE4A (0.57) HDAC8NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL30779569 0.79 PDE4A (0.57) HDAC8NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL20509709 0.78 PDE4A (0.60) POLBALDH1A1HPGDMAPTHTT

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 3 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
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 HDAC8 768/4885NPC1 1353/4885POLB 2443/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HDAC8 768/4885NPC1 1353/4885POLB 2443/4885

“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.