SCHEMBL3791748

SCHEMBL3791748

C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](c6nccn6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.52
▸ NT5E P21589 5/20 0.52
▸ PTPN1 P18031 2/20 0.52
▸ ALB P02768 2/20 0.52
▸ GLI1 P08151 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ AKR1B10 O60218 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ AKR1B1 P15121 1/20 0.52
▸ DPP4 P27487 1/20 0.52
▸ GPBAR1 Q8TDU6 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ EGLN2 Q96KS0 1/20 0.49
▸ EGLN1 Q9GZT9 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL3791751 1.00 RORC (0.52) RORCNT5EPTPN1ALBGLI1
SCHEMBL6119088 0.86 RORC (0.50) RORCNT5EPTPN1ALBGLI1
SCHEMBL3797721 0.82 NT5E (0.61) RORCNT5EPTPN1ALBGLI1
SCHEMBL3797717 0.82 NT5E (0.61) RORCNT5EPTPN1ALBGLI1
SCHEMBL3792777 0.81 GPBAR1 (0.70) RORCNT5EPTPN1ALBGLI1
SCHEMBL3791455 0.80 SLC10A1 (0.57) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL3791454 0.80 SLC10A1 (0.57) NT5EPTPN1USP2LMNAHIF1A
SCHEMBL6112929 0.77 NT5E (0.74) RORCNT5EPTPN1ALBGLI1
SCHEMBL6119123 0.76 SLC10A1 (0.40) RORCNT5EPTPN1ALBGLI1
SCHEMBL3797510 0.76 GPBAR1 (0.48) RORCNT5EPTPN1ALBGLI1

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-8969395-B2 Triterpenoid derivatives useful as antiproliferative agents UNIVERSIDADE DE COIMBRA (PT) 2015-03-03 — — US disclosed
US-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2012-05-24 — — US disclosed
WO-2010134830-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS UNIVERSIDADE DE COIMBRA (PT) 2010-11-25 — — 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-20120129901-A1 TRITERPENOID DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS ALPI, LSS, CYP46A1 RORC 158/4885NT5E 4541/4885PTPN1 3105/4885

“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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