SCHEMBL3525117

SCHEMBL3525117

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.64
LMNA P02545 2/20 0.64
NT5E P21589 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GLI1 P08151 3/20 0.57
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RELA Q04206 1/20 0.56
PTPN1 P18031 2/20 0.56
USP2 O75604 1/20 0.56
HIF1A Q16665 1/20 0.56
AKR1B10 O60218 1/20 0.56
ALB P02768 1/20 0.56
POLB P06746 1/20 0.56
AKR1B1 P15121 1/20 0.56
DPP4 P27487 1/20 0.56
RORC P51449 1/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56

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
SCHEMBL13351911 1.00 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14398790 1.00 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL5442215 1.00 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3526193 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
Lupane Anhydride SCHEMBL2133330 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351877 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
Lupane Anhydride SCHEMBL2141349 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351982 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
Lupane Anhydride SCHEMBL3525136 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
Lupane Anhydride SCHEMBL2135129 0.92 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1

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-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 US disclosed
WO-2010053817-A1 BETULINIC ACID DERIVATIVES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-05-14 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-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof BET1, PGGT1B, CYP3A5 GPBAR1 75/4885LMNA 1890/4885NT5E 591/4885

“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.