SCHEMBL4511428

SCHEMBL4511428

COc1ccccc1CC1CCN(C2CCc3ccccc32)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 1/20 0.41
CYP24A1 Q07973 3/20 0.41
CYP27A1 Q02318 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
CMA1 P23946 1/20 0.41
PIN1 Q13526 1/20 0.40
KMT2A Q03164 2/20 0.40
CYP26A1 O43174 1/20 0.40
HTR2C P28335 1/20 0.40
HSD11B1 P28845 1/20 0.40
KLK7 P49862 1/20 0.39
MEN1 O00255 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
SCHEMBL14364999 0.94 KMT2A (0.44) CYP2D6KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4518200 0.94 KMT2A (0.44) CYP2D6KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4509855 0.87 HSD11B1 (0.39) KDM4EALDH1A1POLBSMN1; SMN2HTR7
SCHEMBL4523052 0.85 CYP24A1 (0.47) CYP2D6KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4504607 0.84 KDM4E (0.39) KDM4EALDH1A1POLBSMN1; SMN2HTR7
SCHEMBL5541253 0.84 KDM4E (0.39) KDM4EALDH1A1POLBSMN1; SMN2HTR7
SCHEMBL4510366 0.82 KDM4E (0.46) KDM4EALDH1A1POLBSMN1; SMN2CYP24A1
SCHEMBL4514845 0.82 KDM4E (0.46) KDM4EALDH1A1POLBSMN1; SMN2CYP24A1
SCHEMBL4510531 0.79 ALDH1A1 (0.43) KDM4EALDH1A1POLBSMN1; SMN2CMA1
SCHEMBL4519858 0.79 CYP26A1 (0.43) KDM4EALDH1A1POLBSMN1; SMN2HTR7

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 CYP2D6 469/4885KDM4E 2703/4885ALDH1A1 51/4885

“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.