SCHEMBL4524837

SCHEMBL4524837

COc1cc(C(=O)OC(C)(C)C)ccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 5/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BTK Q06187 1/20 0.35
EPHX2 P34913 1/20 0.35
F10 P00742 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2990527 0.82 HSD11B1 (0.42) HSD11B1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL4513213 0.80 HSD11B1 (0.52) HSD11B1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL3000219 0.80 HSD11B1 (0.42) HSD11B1ALDH1A1CYP2C9POLB
SCHEMBL16533012 0.78 PDE4D (0.46) ALDH1A1ATMSMN1; SMN2PDE4APDE4B
SCHEMBL2985330 0.78 ALDH1A1 (0.49) HSD11B1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2989132 0.77 HSD11B1 (0.62) HSD11B1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL209391 0.76 HSD11B1 (0.41) HSD11B1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL4514152 0.74 HSD11B1 (0.49) HSD11B1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL13675693 0.74 HSD11B1 (0.43) HSD11B1ALDH1A1KMT2A
SCHEMBL208293 0.74 HSD11B1 (0.43) HSD11B1ALDH1A1ATMSMN1; SMN2NPSR1

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-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

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 HSD11B1 1/4885ALDH1A1 51/4885ATM 4420/4885

“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.