SCHEMBL16731574

SCHEMBL16731574

CC(OC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
ALOX15 P16050 1/20 0.36
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.35
EPHX2 P34913 3/20 0.35
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
SLC22A1 O15245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ADRB3 P13945 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL16731837 0.84 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL16610530 0.81 MEN1 (0.46) MEN1KMT2AMAPTGAAALOX12
SCHEMBL16731576 0.79 CYP17A1 (0.50) MAPTGAACYP17A1CYP19A1LMNA
SCHEMBL16731584 0.79 CYP17A1 (0.50) MAPTGAACYP17A1CYP19A1LMNA
SCHEMBL16731585 0.79 CYP17A1 (0.50) MAPTGAACYP17A1CYP19A1LMNA
SCHEMBL12277235 0.75 CYP17A1 (0.36) MEN1KMT2AMAPTGAAHTT
SCHEMBL1088391 0.75 MEN1 (0.53) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4037135 0.72 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL7797401 0.71 MEN1 (0.49) MEN1KMT2AMAPTGAAALOX12
SCHEMBL6367446 0.71 L3MBTL1 (0.32) CYP17A1CYP19A1

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 MEN1 2462/4885KMT2A 496/4885MAPT 401/4885

“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.