SCHEMBL4513971

SCHEMBL4513971

COc1cccc(OC)c1C(=O)C1CCN(C2CCCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
HSD11B1 P28845 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4509458 0.78 TP53 (0.43) ABCB1POLBHSD11B1CYP3A4CYP2C9
SCHEMBL4515274 0.74 NPC1 (0.42) POLBHSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL4514002 0.73 HSD11B1 (0.60) ABCB1HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL2989132 0.70 HSD11B1 (0.62) POLBHSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL893008 0.70 POLB (0.49) POLBHSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL14230530 0.70 POLB (0.49) POLBHSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL4517105 0.69 HSD11B1 (0.45) HSD11B1CA1CA2
SCHEMBL4516365 0.69 HSD11B1 (0.54) ABCB1HSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL6823880 0.68 CA12 (0.57) L3MBTL1POLBHSD11B1MAPTKMT2A
SCHEMBL4522883 0.68 HRH3 (0.51) L3MBTL1HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ABCB1 571/4885L3MBTL1 3517/4885POLB 2628/4885

“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.