SCHEMBL3776971

SCHEMBL3776971

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

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCG P05129 2/20 0.80
▸ NT5E P21589 9/20 0.77
▸ PTPN1 P18031 3/20 0.77
▸ GLI1 P08151 2/20 0.77
▸ USP2 O75604 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ HIF1A Q16665 1/20 0.77
▸ AKR1B10 O60218 1/20 0.77
▸ ALB P02768 1/20 0.77
▸ POLB P06746 1/20 0.77
▸ AKR1B1 P15121 1/20 0.77
▸ DPP4 P27487 1/20 0.77
▸ RORC P51449 1/20 0.77
▸ GPBAR1 Q8TDU6 1/20 0.77
▸ SAE1 Q9UBE0 1/20 0.77
▸ UBA2 Q9UBT2 1/20 0.77
▸ PRKCD Q05655 1/20 0.76
▸ CETP P11597 1/20 0.74
▸ RELA Q04206 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
SCHEMBL15713556 1.00 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL3787219 1.00 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL14344383 1.00 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL17124241 0.93 PRKCG (0.70) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL17128856 0.93 GPBAR1 (0.78) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL12154489 0.92 PRKCG (0.80) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL23626136 0.91 NT5E (0.81) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL12330536 0.91 PRKCG (0.68) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL10214498 0.91 NT5E (0.81) PRKCGNT5EPTPN1GLI1USP2
SCHEMBL10214450 0.91 NT5E (0.81) PRKCGNT5EPTPN1GLI1USP2

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 PRKCG 1274/4885NT5E 3968/4885PTPN1 809/4885

“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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