SCHEMBL31364698

SCHEMBL31364698

C=CC(=O)N1CCC(CN2C(=O)[C@H](OC(=O)c3ccccc3)[C@@]34[C@@H]2OC(=O)[C@@]32CC(=O)O[C@H]2C[C@@]4(O)C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TEAD1 P28347 1/20 0.35
▸ TEAD3 Q99594 1/20 0.35
▸ BTK Q06187 3/20 0.33

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
SCHEMBL31364717 0.91 MEN1 (0.42) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31520362 0.90 KDM4E (0.41) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31364723 0.89 MEN1 (0.41) MEN1THRBALOX15KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL31364762 0.87 MEN1 (0.39) MEN1THRBALOX15KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL31364719 0.87 MEN1 (0.39) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31364741 0.86 MEN1 (0.41) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31520365 0.85 ALDH1A1 (0.37) MEN1THRBALOX15KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL31520366 0.84 MEN1 (0.38) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31520373 0.84 KDM4E (0.40) MEN1THRBALOX15KMT2ASMN1; SMN2
SCHEMBL31364730 0.83 MEN1 (0.43) MEN1THRBALOX15KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-05-08 — — US disclosed
WO-2025031304-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS THE CHINESE UNIVERSITY OF HONG KONG (CN) 2025-02-13 — — WO 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 (1 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-20250144069-A1 BILOBALIDE DERIVATIVE COMPOUNDS FOR TREATING NEUROLOGICAL DISEASES AND CANCERS BTD, BCHE, BRCA1 MEN1 624/4885THRB 3242/4885ALOX15 846/4885

“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.

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