SCHEMBL6035336

SCHEMBL6035336

COC(=O)c1cc(O)nn1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE7A Q13946 2/20 0.39
OPRK1 P41145 4/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MERTK Q12866 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
BRD4 O60885 1/20 0.37
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL29058385 0.83 PSMB8 (0.42) ALDH1A1NPSR1ATMSMN1; SMN2PDE7A
SCHEMBL21961452 0.80 ALDH1A1 (0.38) ALDH1A1NPSR1ATMSMN1; SMN2PDE7A
SCHEMBL19284313 0.78 KCNJ6 (0.38) ALDH1A1NPSR1ATMSMN1; SMN2PDE7A
SCHEMBL21960367 0.78 OPRK1 (0.39) ALDH1A1NPSR1ATMSMN1; SMN2PDE7A
SCHEMBL20944278 0.77 KMT2A (0.40) ALDH1A1NPSR1SMN1; SMN2PDE7APOLB
SCHEMBL23213685 0.76 KCNH2 (0.37) ALDH1A1NPSR1ATMOPRK1HSD17B10
SCHEMBL27258230 0.76 SLC6A3 (0.37) ALDH1A1NPSR1ATMHSD17B10KMT2A
SCHEMBL26976528 0.75 PDK1 (0.41) ALDH1A1ATMHSD17B10POLBKMT2A
SCHEMBL6036020 0.74 LMNA (0.43) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL27256373 0.73 HCAR3 (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 ALDH1A1 1442/4885NPSR1 2478/4885ATM 3168/4885

“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.