SCHEMBL13908792

SCHEMBL13908792

CC(=O)OCOC(=O)[C@]12CC[C@@H](C(C)C)C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NT5E P21589 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NR1H4 Q96RI1 3/20 0.52
▸ PRKCD Q05655 1/20 0.51

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
SCHEMBL13908786 1.00 GPBAR1 (0.55) GPBAR1LMNANT5ESMN1; SMN2NR1H4
Methyl Dihydrobetulonate SCHEMBL13747683 0.88 GPBAR1 (0.58) GPBAR1LMNANT5ESMN1; SMN2NR1H4
SCHEMBL9891261 0.87 GPBAR1 (0.57) GPBAR1LMNANT5ESMN1; SMN2NR1H4
SCHEMBL13908777 0.86 GPBAR1 (0.75) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL15496685 0.86 GPBAR1 (0.75) GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL9108482 0.85 GPBAR1 (0.52) GPBAR1LMNANT5ESMN1; SMN2NR1H4
SCHEMBL22251647 0.85 GPBAR1 (0.52) GPBAR1LMNANT5ESMN1; SMN2NR1H4
SCHEMBL9109676 0.85 GPBAR1 (0.52) GPBAR1LMNANT5ESMN1; SMN2NR1H4
Dihydrobetulonic Acid SCHEMBL10061167 0.85 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Dihydrobetulonic Acid SCHEMBL14414141 0.85 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD

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-9303058-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2016-04-05 — — US disclosed
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-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
WO-2007101873-A2 BETULONIC ACID ESTERS AND BETULINIC ACID POLYALKYLENE-GLYCOL DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTION AND CANCER SNDV SPRL (BE) 2007-09-13 — — 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 (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 GPBAR1 100/4885LMNA 3136/4885NT5E 3765/4885
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, BCAT1, PGGT1B GPBAR1 90/4885LMNA 3280/4885NT5E 3081/4885

“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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