SCHEMBL17124262

SCHEMBL17124262

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.64
RELA Q04206 1/20 0.64
PTPN1 P18031 5/20 0.58
CES2 O00748 1/20 0.58
TOP2A P11388 1/20 0.58
CES1 P23141 1/20 0.58
GPBAR1 Q8TDU6 3/20 0.55
PTGES O14684 2/20 0.53
ALB P02768 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
AKR1B10 O60218 1/20 0.46
POLB P06746 1/20 0.46
AKR1B1 P15121 1/20 0.46
NT5E P21589 1/20 0.46
DPP4 P27487 1/20 0.46
RORC P51449 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 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
SCHEMBL17124237 0.89 GLI1 (0.73) GLI1RELAPTPN1CES2TOP2A
SCHEMBL2845856 0.89 GLI1 (0.73) GLI1RELAPTPN1CES2TOP2A
SCHEMBL15713944 0.86 GLI1 (0.85) GLI1RELAPTPN1GPBAR1ALB
SCHEMBL14086956 0.84 PTPN1 (0.80) GLI1RELAPTPN1CES2TOP2A
SCHEMBL17124248 0.83 PTGES (0.52) GLI1RELAPTPN1CES2TOP2A
Alphitolic Acid SCHEMBL1954405 0.79 GLI1 (1.00) GLI1RELAPTPN1CES2CES1
SCHEMBL15713945 0.78 RELA (0.81) GLI1RELAPTPN1TOP2AGPBAR1
SCHEMBL15713941 0.78 RELA (0.81) GLI1RELAPTPN1TOP2AGPBAR1
SCHEMBL17124257 0.76 PTPN1 (0.76) GLI1RELAPTPN1CES2TOP2A
SCHEMBL17124273 0.75 PTPN1 (0.72) GLI1RELAPTPN1CES2TOP2A

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 GLI1 4165/4885RELA 437/4885PTPN1 855/4885

“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.