SCHEMBL16731579

SCHEMBL16731579

CC(OC(=O)OC12CC3CC(CC(C3)C1)C2)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
CYP17A1 P05093 5/20 0.41
NPSR1 Q6W5P4 2/20 0.38
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL16731842 0.82 NPSR1 (0.42) CYP19A1CYP17A1NPSR1NAAAALDH1A1
SCHEMBL10891547 0.79 NPSR1 (0.40) CYP19A1CYP17A1NPSR1NAAAALDH1A1
SCHEMBL3125283 0.76 NPSR1 (0.47) CYP19A1CYP17A1NPSR1NAAAALDH1A1
SCHEMBL16731585 0.76 CYP17A1 (0.50) CYP19A1CYP17A1ALDH1A1HSD11B1
SCHEMBL16731576 0.76 CYP17A1 (0.50) CYP19A1CYP17A1ALDH1A1HSD11B1
SCHEMBL16731584 0.76 CYP17A1 (0.50) CYP19A1CYP17A1ALDH1A1HSD11B1
SCHEMBL865315 0.75 NPSR1 (0.48) CYP19A1CYP17A1NPSR1NAAAALDH1A1
SCHEMBL9608681 0.74 CYP19A1 (0.50) CYP19A1CYP17A1NPSR1NAAAALDH1A1
Ammonia Solution, Strong SCHEMBL28325233 0.74 NPSR1 (0.45) CYP19A1CYP17A1NPSR1NAAAALDH1A1
SCHEMBL11991228 0.72 CYP19A1 (0.46) CYP19A1CYP17A1NPSR1NAAAALDH1A1

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-9428483-B2 Prodrug of fluorine-containing amino acid TAISHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-30 US disclosed
US-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-21 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-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID SLC1A2, SLC1A1, SLC1A3 CYP19A1 1910/4885CYP17A1 2604/4885NPSR1 269/4885

“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.