SCHEMBL3786305

SCHEMBL3786305

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(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.70
▸ PRKCG P05129 2/20 0.68
▸ PRKCD Q05655 1/20 0.67
▸ CETP P11597 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ EGLN2 Q96KS0 1/20 0.65
▸ EGLN1 Q9GZT9 1/20 0.65
▸ EGLN3 Q9H6Z9 1/20 0.65
▸ P4HTM Q9NXG6 1/20 0.65
▸ USP2 O75604 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ HIF1A Q16665 1/20 0.65

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
SCHEMBL3790380 1.00 NT5E (0.70) NT5EPRKCGPRKCDCETPRELA
SCHEMBL15713557 1.00 NT5E (0.70) NT5EPRKCGPRKCDCETPRELA
SCHEMBL18710912 0.94 NT5E (0.71) NT5EPRKCD
SCHEMBL3784133 0.94 NT5E (0.71) NT5EPRKCD
SCHEMBL17128857 0.94 NT5E (0.71) NT5EPRKCD
SCHEMBL17124241 0.92 PRKCG (0.70) NT5EPRKCGPRKCDCETPEGLN2
SCHEMBL16349462 0.92 PRKCG (0.67) NT5EPRKCGPRKCDCETPEGLN2
SCHEMBL15713556 0.91 PRKCG (0.80) NT5EPRKCGPRKCDCETPRELA
SCHEMBL14344383 0.91 PRKCG (0.80) NT5EPRKCGPRKCDCETPRELA
SCHEMBL3787219 0.91 PRKCG (0.80) NT5EPRKCGPRKCDCETPRELA

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 7 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
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 NT5E 3968/4885PRKCG 1274/4885PRKCD 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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