SCHEMBL13814591

SCHEMBL13814591

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

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.87
▸ LMNA P02545 2/20 0.87
▸ NT5E P21589 2/20 0.87
▸ SMN1; SMN2 Q16637 1/20 0.87
▸ EGLN2 Q96KS0 3/20 0.66
▸ EGLN1 Q9GZT9 3/20 0.66
▸ EGLN3 Q9H6Z9 3/20 0.66
▸ P4HTM Q9NXG6 3/20 0.66
▸ ALB P02768 2/20 0.60
▸ PTPN1 P18031 2/20 0.60
▸ GLI1 P08151 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ AKR1B1 P15121 1/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ RORC P51449 1/20 0.60
▸ SAE1 Q9UBE0 1/20 0.60
▸ UBA2 Q9UBT2 1/20 0.60

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
SCHEMBL13908801 1.00 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14682802 1.00 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14259781 1.00 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL10062172 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL14397742 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13814592 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL14111993 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL14436770 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13573800 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13098064 0.93 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2

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-8623848-B2 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2014-01-07 — — US disclosed
US-8623848-B2 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2014-01-07 — — US disclosed
US-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods UNIVERSITY OF OTTAWA 2009-06-04 — — US disclosed
US-7488722-B2 Anxiolytic Marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2009-02-10 — — 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-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods GABRA5, GABRA6, GABRA1 GPBAR1 250/4885LMNA 1443/4885NT5E 1561/4885

“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.

Send feedback