SCHEMBL4787526

SCHEMBL4787526

COC(=O)CC1CCC(CO[Si](C(C)C)(C(C)C)C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 6/20 0.31
CNR1 P21554 2/20 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
SCHEMBL4704310 0.83 ANPEP (0.40) SLC1A3SLC1A2SLC1A1MAPTTDP1
SCHEMBL8062811 0.80
SCHEMBL24197361 0.78 BRD4 (0.50) BRD4CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2036054 0.78
SCHEMBL338155 0.77 BRD4 (0.43) BRD4SLC1A3SLC1A2SLC1A1HSD17B10
SCHEMBL4698067 0.75 SHBG (0.33)
SCHEMBL2478048 0.72 BRD4 (0.42) BRD4HSD17B10L3MBTL1
SCHEMBL1967488 0.71 DEGS1 (0.40) BRD4CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL21706786 0.71 BRD4 (0.39) BRD4CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL1188547 0.71 BRD4 (0.44) BRD4CYP3A4MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385508-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7026316-B2 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-04-11 US disclosed
US-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-06-03 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-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 BRD4 1940/4885SLC1A3 1260/4885SLC1A2 1811/4885

“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.