SCHEMBL3434963

SCHEMBL3434963

[C-]#[N+]C1=C[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(C(N)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.51
LMNA P02545 2/20 0.51
NT5E P21589 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GLI1 P08151 3/20 0.47
RELA Q04206 1/20 0.47
ALB P02768 2/20 0.47
PTPN1 P18031 2/20 0.47
RORC P51449 2/20 0.47
USP2 O75604 1/20 0.47
HIF1A Q16665 1/20 0.47
AKR1B10 O60218 1/20 0.47
POLB P06746 1/20 0.47
AKR1B1 P15121 1/20 0.47
DPP4 P27487 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
EGLN2 Q96KS0 3/20 0.46
EGLN1 Q9GZT9 3/20 0.46
EGLN3 Q9H6Z9 3/20 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
SCHEMBL3434971 0.92 GPBAR1 (0.61) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3433671 0.91 GPBAR1 (0.51) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3434483 0.90 GPBAR1 (0.50) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3434478 0.85 GPBAR1 (0.47) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351877 0.84 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3434966 0.84 GPBAR1 (0.45) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3434961 0.83 GPBAR1 (0.42) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL6119147 0.79 GPBAR1 (0.65) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL14398790 0.77 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL5442215 0.77 GPBAR1 (0.64) 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-8778990-B2 Betulinic acid derivatives and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-07-15 US disclosed
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 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.