SCHEMBL15967504

SCHEMBL15967504

C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC=C(C=CC(=O)OCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.48
GPBAR1 Q8TDU6 4/20 0.48
LMNA P02545 1/20 0.48
NT5E P21589 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGAM O43451 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
PRKCG P05129 1/20 0.47

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
SCHEMBL15967502 1.00 RELA (0.48) RELAGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL15981241 1.00 RELA (0.48) RELAGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL15967728 0.94 GPBAR1 (0.50) RELAGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL15967727 0.94 GPBAR1 (0.50) RELAGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL15981243 0.94 GPBAR1 (0.50) RELAGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL9891282 0.89 GPBAR1 (0.55) GPBAR1LMNANT5ESMN1; SMN2MGAM
SCHEMBL9891292 0.85
SCHEMBL9888494 0.84 GPBAR1 (0.50) RELAGPBAR1LMNANT5ESMN1; SMN2
SCHEMBL9107012 0.84
SCHEMBL21435899 0.83 GPBAR1 (0.61) GPBAR1LMNANT5ESMN1; SMN2MGAM

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-9249180-B2 C-3 alkyl and alkenyl modified betulinic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-28 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-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES BET1, TMPO, PGGT1B RELA 2093/4885GPBAR1 896/4885LMNA 1045/4885

“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.