SCHEMBL4515835

SCHEMBL4515835

Cc1ccccc1CC1CCN(C23CC4CC(CC(C4)C2)C3)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.44
CYP24A1 Q07973 1/20 0.44
HSD11B1 P28845 4/20 0.38
EPHX2 P34913 1/20 0.38
CES2 O00748 2/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
CYP2A13 Q16696 1/20 0.34
GAA P10253 1/20 0.34
P2RX7 Q99572 2/20 0.34
GBA1 P04062 1/20 0.34
C5AR1 P21730 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL14365266 0.87 CYP26A1 (0.39) CYP26A1CYP24A1HSD11B1EPHX2CES2
SCHEMBL4509712 0.85 CYP2D6 (0.47) ALDH1A1MEN1KMT2AP2RX7
SCHEMBL13674410 0.82 HSD11B1 (0.56) HSD11B1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4507429 0.76 EPHX2 (0.37) HSD11B1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL5132089 0.76 ALDH1A1 (0.37) EPHX2ALDH1A1SMN1; SMN2CYP2A13GAA
SCHEMBL4512825 0.75 ATM (0.41) ACHEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4506472 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2P2RX7
SCHEMBL4515192 0.74 ALDH1A1 (0.35) CYP26A1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL4517200 0.74 ALDH1A1 (0.37) HSD11B1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL14365268 0.74 CYP2D6 (0.41) HSD11B1MEN1KMT2ASMN1; SMN2

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 2 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
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 CYP26A1 66/4885CYP24A1 54/4885HSD11B1 1/4885

“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.