SCHEMBL3527425

SCHEMBL3527425

C=C(C)[C@@H]1CC[C@]2(C(=O)OC)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 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.53
GPBAR1 Q8TDU6 4/20 0.52
LMNA P02545 1/20 0.52
NT5E P21589 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EGLN2 Q96KS0 3/20 0.49
EGLN1 Q9GZT9 3/20 0.49
EGLN3 Q9H6Z9 3/20 0.49
P4HTM Q9NXG6 3/20 0.49
RORC P51449 1/20 0.47
RELA Q04206 2/20 0.47
GLI1 P08151 2/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.46
STAT3 P40763 1/20 0.46
USP7 Q93009 1/20 0.46
MBOAT4 Q96T53 1/20 0.46
TOP2A P11388 1/20 0.46

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
Lupane Anhydride SCHEMBL2133330 0.95 GPBAR1 (0.54) NFE2L2GPBAR1LMNANT5ESMN1; SMN2
Lupane Anhydride SCHEMBL2141349 0.95 GPBAR1 (0.54) NFE2L2GPBAR1LMNANT5ESMN1; SMN2
Lupane Anhydride SCHEMBL2135129 0.95 GPBAR1 (0.54) NFE2L2GPBAR1LMNANT5ESMN1; SMN2
Lupane Anhydride SCHEMBL3525136 0.95 GPBAR1 (0.54) NFE2L2GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL14398790 0.91 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL3525117 0.91 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL5442215 0.91 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL13351911 0.91 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2RORC
SCHEMBL3526193 0.90 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13351877 0.90 GPBAR1 (0.54) 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 1 patent. 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

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 NFE2L2 2053/4885GPBAR1 75/4885LMNA 1890/4885

“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.