SCHEMBL3781420

SCHEMBL3781420

COC[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 1/20 0.80
GPBAR1 Q8TDU6 10/20 0.66
PRKCD Q05655 1/20 0.66
NR1H4 Q96RI1 1/20 0.59
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
TOP2A P11388 1/20 0.56
PTPN1 P18031 1/20 0.56
NT5E P21589 1/20 0.56
RELA Q04206 1/20 0.56
TDP1 Q9NUW8 1/20 0.53

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
Dihydrobetulin SCHEMBL5449655 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
Dihydrobetulin SCHEMBL3780917 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
Dihydrobetulin SCHEMBL14344594 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
Dihydrobetulin SCHEMBL22571117 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
Dihydrobetulin SCHEMBL16380429 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
Dihydrobetulin SCHEMBL24223727 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
Dihydrobetulin SCHEMBL2807383 0.89 SLC10A1 (1.00) SLC10A1GPBAR1PRKCDNR1H4USP2
SCHEMBL3786701 0.88 SLC10A1 (0.62) SLC10A1GPBAR1PRKCD
SCHEMBL17817302 0.88 SLC10A1 (0.62) SLC10A1GPBAR1PRKCD
SCHEMBL17817298 0.86 SLC10A1 (0.60) SLC10A1GPBAR1PRKCDNR1H4

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 9 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
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
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
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
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 SLC10A1 964/4885GPBAR1 2894/4885PRKCD 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.