SCHEMBL15149727

SCHEMBL15149727

C[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
SLC22A2 O15244 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 5/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
DPP4 P27487 1/20 0.41
P2RX7 Q99572 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 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
SCHEMBL1089252 1.00 ALDH1A1 (0.50) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL17628726 0.91 ALDH1A1 (0.39) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL17628724 0.91 ALDH1A1 (0.39) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL26217989 0.87 ALDH1A1 (0.43) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL6858920 0.82 ALDH1A1 (0.40) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL8073575 0.82 ALDH1A1 (0.50) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL4138799 0.82 NPC1 (0.50) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL7706555 0.81 ALDH1A1 (0.39) ALDH1A1NPC1SLC22A2SLC47A1MAPT
SCHEMBL13148519 0.81 DPP4 (0.48) ALDH1A1NPC1DPP4CYP3A4
SCHEMBL1088842 0.81 TSHR (0.42) ALDH1A1NPC1SLC22A2SLC47A1MAPT

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-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
WO-2013111158-A2 PROCESS FOR THE PREPARATION OF DPP-IV INHIBITOR MSN LABORATORIES LIMITED (IN) 2013-08-01 WO 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-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 ALDH1A1 1198/4885NPC1 2369/4885SLC22A2 4010/4885

“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.