SCHEMBL4501285

SCHEMBL4501285

COC(=O)C12CC3CC(C1)CC(N1CCCC1=O)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 3/20 0.36
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL206785 0.74 MEN1 (0.49) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL163027 0.73 NPSR1 (0.53) ALDH1A1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL4511612 0.73 KMT2A (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2161628 0.72 MEN1 (0.30) MEN1KMT2A
SCHEMBL2162510 0.70 MEN1 (0.31) ALDH1A1LMNAMEN1KMT2A
SCHEMBL12104073 0.69 NPSR1 (0.45) ALDH1A1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL4500488 0.69 MEN1 (0.44) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5608439 0.68 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2NPSR1L3MBTL1
SCHEMBL4524325 0.68 LMNA (0.49) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL163910 0.68 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2NPSR1MEN1

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 ALDH1A1 51/4885HTT 3659/4885LMNA 2846/4885

“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.