SCHEMBL31364737

SCHEMBL31364737

CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2N(c4ccc(N5CCOCC5)cc4)C(=O)[C@H](O)[C@]213

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ ABHD6 Q9BV23 1/20 0.30

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
SCHEMBL31364731 0.88 MEN1 (0.56) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364722 0.83 KMT2A (0.44) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364697 0.78 MEN1 (0.62) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364699 0.75 MEN1 (0.53) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364753 0.73 MEN1 (0.45) MEN1KMT2ATHRBALOX15SMN1; SMN2
Bilobalide SCHEMBL16653675 0.73 KMT2A (1.00) MEN1KMT2ATHRBALOX15SMN1; SMN2
Bilobalide SCHEMBL18327718 0.73 KMT2A (1.00) MEN1KMT2ATHRBALOX15SMN1; SMN2
Bilobalide SCHEMBL13960090 0.73 KMT2A (1.00) MEN1KMT2ATHRBALOX15SMN1; SMN2
Bilobalide SCHEMBL285824 0.73 KMT2A (1.00) MEN1KMT2ATHRBALOX15SMN1; SMN2
Bilobalide SCHEMBL14029382 0.73 KMT2A (1.00) MEN1KMT2ATHRBALOX15SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029157-A Bilobalide derivatives for the treatment of neurological diseases and cancers 香港中文大学 2026-05-12 — — CN disclosed
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 624/4885KMT2A 1707/4885THRB 3242/4885

“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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