SCHEMBL16474137

SCHEMBL16474137

CCC(=O)O[C@]1(C(=O)SCC(=O)O)[C@H](C)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.70
PGR P06401 5/20 0.70
CYP3A4 P08684 5/20 0.70
AR P10275 4/20 0.70
ADORA3 P0DMS8 2/20 0.70
NR3C2 P08235 2/20 0.70
NR1I2 O75469 2/20 0.70
CHRM1 P11229 1/20 0.61
ADRA1A P35348 1/20 0.61
HIF1A Q16665 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
MLNR O43193 1/20 0.47
ABCB11 O95342 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
SCHEMBL16474135 0.93 NR3C1 (0.81) NR3C1PGRCYP3A4ARADORA3
SCHEMBL16479355 0.92 NR3C1 (0.67) NR3C1PGRCYP3A4ARADORA3
SCHEMBL16474140 0.92 NR3C1 (0.66) NR3C1PGRCYP3A4ARADORA3
SCHEMBL16389382 0.90 NR3C1 (0.86) NR3C1PGRCYP3A4ARADORA3
Acetone SCHEMBL14645259 0.88 NR3C1 (0.81) NR3C1PGRCYP3A4ARADORA3
SCHEMBL4284 0.88 NR3C1 (0.83) NR3C1PGRCYP3A4ARADORA3
SCHEMBL16474139 0.87 NR3C1 (0.72) NR3C1PGRCYP3A4ARADORA3
Alcohol SCHEMBL9363106 0.87 NR3C1 (0.81) NR3C1PGRCYP3A4ARADORA3
SCHEMBL11903930 0.87 NR3C1 (0.76) NR3C1PGRCYP3A4ARADORA3
SCHEMBL3365954 0.87 NR3C1 (0.76) NR3C1PGRCYP3A4ARADORA3

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-20140200341-A1 Method for the Production of Fluoromethyl Esters of Androstan-17 beta Carboxylic Acids HOVIONE INTER LIMITED (CH) 2014-07-17 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-20140200341-A1 Method for the Production of Fluoromethyl Esters of Androstan-17 beta Carboxylic Acids HSD17B2, HSD17B7, CYP17A1 NR3C1 76/4885PGR 872/4885CYP3A4 126/4885

“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.