SCHEMBL16624813

SCHEMBL16624813

CCCOC(=O)CC(C)C(C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
ABCB1 P08183 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.32
BIRC2 Q13490 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
SCHEMBL16624816 1.00 CA1 (0.35) CA1CA2TAS1R3TAS1R1ALDH1A1
SCHEMBL16626888 0.85 SMN1; SMN2 (0.41) CA1CA2TAS1R3TAS1R1ALDH1A1
SCHEMBL16626900 0.85 SMN1; SMN2 (0.41) CA1CA2TAS1R3TAS1R1ALDH1A1
SCHEMBL16624810 0.82 TSHR (0.40) CA1CA2SMN1; SMN2MAPTHSD17B10
SCHEMBL16624811 0.82 TSHR (0.40) CA1CA2SMN1; SMN2MAPTHSD17B10
SCHEMBL12526876 0.81 CA1 (0.37) CA1CA2TAS1R3TAS1R1ALDH1A1
SCHEMBL17468965 0.80 NAAA (0.38) ALDH1A1NAAADGKAHCAR2SMN1; SMN2
SCHEMBL9149871 0.79 NAAA (0.36) ALDH1A1NAAADGKAHCAR2MAPT
SCHEMBL15041053 0.78 CA1 (0.43) CA1CA2ALDH1A1ZDHHC7SMN1; SMN2
SCHEMBL8223673 0.78 CA1 (0.43) CA1CA2ALDH1A1ZDHHC7SMN1; SMN2

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-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD CA1 4500/4885CA2 4380/4885TAS1R3 4578/4885

“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.