SCHEMBL17124246

SCHEMBL17124246

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.63
TOP2A P11388 2/20 0.63
CES2 O00748 2/20 0.63
CES1 P23141 2/20 0.63
PTGES O14684 2/20 0.61
LMNA P02545 3/20 0.54
NT5E P21589 3/20 0.54
GPBAR1 Q8TDU6 3/20 0.54
GLI1 P08151 3/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALB P02768 2/20 0.48
USP2 O75604 2/20 0.48
HIF1A Q16665 2/20 0.48
AKR1B10 O60218 1/20 0.48
POLB P06746 1/20 0.48
AKR1B1 P15121 1/20 0.48
DPP4 P27487 1/20 0.48
RORC P51449 1/20 0.48
SAE1 Q9UBE0 1/20 0.48

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
SCHEMBL17124248 0.91 PTGES (0.52) PTPN1TOP2ACES2CES1PTGES
SCHEMBL17124244 0.85 TOP2A (0.55) PTPN1TOP2ACES2CES1PTGES
SCHEMBL15713695 0.84 GPBAR1 (0.60) PTPN1TOP2ACES2CES1LMNA
Lupenone SCHEMBL27218586 0.83 GPBAR1 (0.75) PTPN1TOP2ACES2CES1PTGES
SCHEMBL3935994 0.83 PTPN1 (0.48) PTPN1TOP2ACES2CES1PTGES
Lupenone SCHEMBL13692854 0.83 GPBAR1 (0.75) PTPN1TOP2ACES2CES1PTGES
Lupenone SCHEMBL13851777 0.83 GPBAR1 (0.75) PTPN1TOP2ACES2CES1PTGES
Lupenone SCHEMBL1224027 0.83 GPBAR1 (0.75) PTPN1TOP2ACES2CES1PTGES
Lupenone SCHEMBL13908727 0.83 GPBAR1 (0.75) PTPN1TOP2ACES2CES1PTGES
Lupenone SCHEMBL13908802 0.83 GPBAR1 (0.75) PTPN1TOP2ACES2CES1PTGES

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-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 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-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof NR3C1, NR5A1, NR3C2 PTPN1 855/4885TOP2A 982/4885CES2 2448/4885

“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.