SCHEMBL3784133

SCHEMBL3784133

C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.71
▸ PRKCD Q05655 1/20 0.69

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
SCHEMBL17128857 1.00 NT5E (0.71) NT5EPRKCD
SCHEMBL18710912 1.00 NT5E (0.71) NT5EPRKCD
SCHEMBL3790380 0.94 NT5E (0.70) NT5EPRKCD
SCHEMBL15713557 0.94 NT5E (0.70) NT5EPRKCD
SCHEMBL3786305 0.94 NT5E (0.70) NT5EPRKCD
SCHEMBL13814598 0.93 GPBAR1 (0.70) NT5E
SCHEMBL10214539 0.93 NT5E (0.71) NT5EPRKCD
SCHEMBL14163543 0.92 NT5E (0.70) NT5EPRKCD
SCHEMBL23626136 0.92 NT5E (0.81) NT5EPRKCD
SCHEMBL10214498 0.92 NT5E (0.81) NT5EPRKCD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2004-05-06 — — US claimed
EP-1292562-A1 TRITERPENOID DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2003-03-19 — — EP claimed
US-6369109-B1 Betulinic acid and derivatives thereof useful for the treatment of neuroectodermal tumor DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2002-04-09 — — US claimed
WO-2001090046-A1 TRITERPENOID DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2001-11-29 — — WO claimed
EP-1124842-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-08-22 — — EP claimed
WO-2000024762-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2000-05-04 — — WO claimed
US-7858606-B2 Triterpenoid derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-28 — — US disclosed
US-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2004-05-06 — — US disclosed
EP-1292562-A1 TRITERPENOID DERIVATIVES Univerzita palackeho V Olomouci (CZ) 2003-03-19 — — EP disclosed
US-6369109-B1 Betulinic acid and derivatives thereof useful for the treatment of neuroectodermal tumor DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2002-04-09 — — US disclosed
WO-2001090046-A1 TRITERPENOID DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2001-11-29 — — WO disclosed
EP-1124842-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2001-08-22 — — EP disclosed
WO-2000024762-A1 BETULINIC ACID AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF NEUROECTODERMAL TUMORS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2000-05-04 — — 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-20040087560-A1 Leukemia; anticancer agents; antiproliferative agents MCL1, MKI67, CCNA1 NT5E 3968/4885PRKCD 1782/4885

“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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