SCHEMBL6276753

SCHEMBL6276753

CC1(C)C2CCC(=O)CC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 0.38
CYP19A1 P11511 4/20 0.37
AKR1B10 O60218 3/20 0.37
AKR1B1 P15121 3/20 0.37
OR51E2 Q9H255 1/20 0.37
SRD5A2 P31213 2/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
SERPINA6 P08185 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR2 P34972 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17988645 1.00 SHBG (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL16504348 0.89 CYP19A1 (0.34) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL2457859 0.82
SCHEMBL17048771 0.82
SCHEMBL2455331 0.82
SCHEMBL2455329 0.82
SCHEMBL9314092 0.77 CYP19A1 (0.38) SHBGCYP19A1AKR1B10AKR1B1OR51E2
SCHEMBL7436315 0.73
SCHEMBL2248516 0.71 SHBG (0.36) SHBG
SCHEMBL2495783 0.71 SHBG (0.36) SHBG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166588-A1 THE OXIDATION OF CARBON-HYDROGEN BONDS USING OZONE P2 SCIENCE, INC. 2024-05-23 US disclosed
WO-2022192578-A1 THE OXIDATION OF CARBON-HYDROGEN BONDS USING OZONE P2 SCIENCE, INC. (US) 2022-09-15 WO disclosed
US-6916838-B1 1-benzylpyrazole-3-carboxylic acid tricyclic derivatives as cannabinoid receptor antagonists SANOFI-AVENTIS (FR) 2005-07-12 US disclosed
EP-1230222-B1 1-BENZYLPYRAZOLES-3-CARBOXYLIC ACID TRICYCLIC DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS SANOFI SYNTHELABO (FR) 2004-07-07 EP disclosed
EP-1230222-A1 1-BENZYLPYRAZOLES-3-CARBOXYLIC ACID TRICYCLIC DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 2002-08-14 EP disclosed
WO-2001032629-A1 1-BENZYLPYRAZOLES-3-CARBOXYLIC ACID TRICYCLIC DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 2001-05-10 WO 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-20240166588-A1 THE OXIDATION OF CARBON-HYDROGEN BONDS USING OZONE GPX4, NOX4, SCO2 SHBG 198/4885CYP19A1 387/4885AKR1B10 1137/4885

“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.