SCHEMBL31364738

SCHEMBL31364738

COc1cccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C34[C@@H]2OC(=O)[C@@]32CC(=O)O[C@H]2C[C@@]4(O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL31364721 0.92 KMT2A (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364753 0.92 MEN1 (0.45) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31520354 0.92 KMT2A (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364713 0.90 MEN1 (0.41) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31520353 0.90 MEN1 (0.39) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31520368 0.89 MEN1 (0.42) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31520374 0.88 MEN1 (0.40) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364745 0.88 MEN1 (0.42) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31364715 0.87 MEN1 (0.37) MEN1KMT2ATHRBALOX15SMN1; SMN2
SCHEMBL31520367 0.87 MEN1 (0.42) 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 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 624/4885KMT2A 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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