SCHEMBL23626427

SCHEMBL23626427

C=C(CN)[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.80
▸ TOP2A P11388 2/20 0.80
▸ USP2 O75604 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ HIF1A Q16665 2/20 0.80
▸ NT5E P21589 2/20 0.80
▸ RELA Q04206 1/20 0.80
▸ SLC10A1 Q14973 3/20 0.66
▸ CES2 O00748 2/20 0.58
▸ CES1 P23141 2/20 0.58
▸ ALB P02768 2/20 0.56
▸ GPBAR1 Q8TDU6 2/20 0.56
▸ AKR1B10 O60218 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ GLI1 P08151 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ RORC P51449 1/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56

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
SCHEMBL14161088 1.00 PTPN1 (0.80) PTPN1TOP2AUSP2LMNAHIF1A
30-Hydroxy-Betulin SCHEMBL5956634 0.92 PTPN1 (0.83) PTPN1TOP2AUSP2LMNAHIF1A
30-Hydroxy-Betulin SCHEMBL13910805 0.92 PTPN1 (0.83) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL13910771 0.91 PTPN1 (0.85) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL3717693 0.90 PTPN1 (0.80) PTPN1TOP2AUSP2LMNAHIF1A
SCHEMBL5956536 0.90 PTPN1 (0.80) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL2733535 0.89 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL9905923 0.89 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL20776118 0.89 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A
Betulin SCHEMBL15074885 0.89 PTPN1 (1.00) PTPN1TOP2AUSP2LMNAHIF1A

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
US-20230192759-A1 BETULASTATIN COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-22 — — US disclosed
US-20230192759-A1 BETULASTATIN COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-22 — — US disclosed
US-20210206798-A1 BETULASTATIN COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2021-07-08 — — 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-20230192759-A1 BETULASTATIN COMPOUNDS PGGT1B, RABGGTB, BET1 PTPN1 3589/4885TOP2A 889/4885USP2 2633/4885
US-20210206798-A1 BETULASTATIN COMPOUNDS PGGT1B, RABGGTB, BET1 PTPN1 3589/4885TOP2A 889/4885USP2 2633/4885

“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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