SCHEMBL13908747

SCHEMBL13908747

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCD Q05655 1/20 0.67
▸ CETP P11597 1/20 0.65
▸ PTGES O14684 2/20 0.63
▸ PTPN1 P18031 2/20 0.62
▸ CES2 O00748 1/20 0.62
▸ TOP2A P11388 1/20 0.62
▸ CES1 P23141 1/20 0.62
▸ NR1H4 Q96RI1 1/20 0.58
▸ CA9 Q16790 1/20 0.57
▸ NT5E P21589 6/20 0.56
▸ PRKCG P05129 1/20 0.55

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
SCHEMBL6741284 0.94 PRKCD (0.75) PRKCDCETPPTGESPTPN1CES2
SCHEMBL7746354 0.90 PRKCD (0.81) PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956717 0.90 PRKCD (0.81) PRKCDCETPPTGESPTPN1CES2
SCHEMBL6741278 0.90 PRKCD (0.81) PRKCDCETPPTGESPTPN1CES2
SCHEMBL4659804 0.90 PRKCD (0.67) PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956497 0.90 PRKCD (0.67) PRKCDCETPPTGESPTPN1CES2
SCHEMBL15496672 0.89 CETP (0.69) PRKCDCETPPTGESPTPN1CES2
Hydrochloric Acid SCHEMBL4660172 0.89 PRKCD (0.66) PRKCDCETPPTGESPTPN1CES2
SCHEMBL5956741 0.89 CETP (0.82) PRKCDCETPPTGESPTPN1CES2
SCHEMBL564481 0.89 CETP (0.69) PRKCDCETPPTGESPTPN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 PRKCD 2306/4885CETP 2393/4885PTGES 950/4885

“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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