SCHEMBL13908797

SCHEMBL13908797

C=C(C)[C@@H]1CC[C@]2(C(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.73
▸ ALB P02768 3/20 0.69
▸ PTPN1 P18031 2/20 0.69
▸ GLI1 P08151 2/20 0.69
▸ NT5E P21589 2/20 0.69
▸ USP2 O75604 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ AKR1B10 O60218 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ AKR1B1 P15121 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ GPBAR1 Q8TDU6 1/20 0.69
▸ SAE1 Q9UBE0 1/20 0.69
▸ UBA2 Q9UBT2 1/20 0.69
▸ EGLN2 Q96KS0 1/20 0.67
▸ EGLN1 Q9GZT9 1/20 0.67
▸ EGLN3 Q9H6Z9 1/20 0.67
▸ P4HTM Q9NXG6 1/20 0.67
▸ PRKCG P05129 1/20 0.61

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
SCHEMBL14693097 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL13259806 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL13285629 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL5452263 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL14398791 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL13259775 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL13285520 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL14374394 0.93 NT5E (0.80) RORCALBPTPN1GLI1NT5E
SCHEMBL17128775 0.90 RORC (0.71) RORCALBPTPN1GLI1NT5E
SCHEMBL17128777 0.90 RORC (0.71) RORCALBPTPN1GLI1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303058-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2016-04-05 — — US disclosed
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES Leunis, Jean-Claude (BE) 2014-03-06 — — US disclosed
US-8586569-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2013-11-19 — — US disclosed
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES JEAN-CLAUDE LEUNIS (BE) 2009-03-12 — — US 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 (2 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-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 RORC 1449/4885ALB 4375/4885PTPN1 4580/4885
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, BCAT1, PGGT1B RORC 1430/4885ALB 4328/4885PTPN1 4506/4885

“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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