SCHEMBL29576166

SCHEMBL29576166

O=C(C1CC(O)(c2ccccc2)C1)N1CCN(c2ccc(O)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ME2 P23368 13/20 0.56
ME1 P48163 13/20 0.56
ME3 Q16798 13/20 0.56
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
GRIN2B Q13224 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL23244289 1.00 ME2 (0.56) ME2ME1ME3CKS1BSKP1
SCHEMBL23244366 0.80 TDP1 (0.63) ME2ME1ME3CKS1BSKP1
SCHEMBL29576883 0.79 ME2 (0.58) ME2ME1ME3CKS1BSKP1
SCHEMBL23244158 0.79 ME2 (0.58) ME2ME1ME3CKS1BSKP1
SCHEMBL23244239 0.79 ME2 (0.58) ME2ME1ME3CKS1BSKP1
SCHEMBL23244261 0.76 TDP1 (0.55) ME2ME1ME3CKS1BSKP1
SCHEMBL21551525 0.75 ME2 (0.66) ME2ME1ME3HTTL3MBTL1
SCHEMBL23244220 0.74 ME2 (0.62) ME2ME1ME3HTTLMNA
SCHEMBL23244270 0.74 SIGMAR1 (0.64) ME2ME1ME3LMNAMAPT
SCHEMBL23259366 0.74 SIGMAR1 (0.64) ME2ME1ME3LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US 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-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ME2 2/4885ME1 1/4885ME3 3/4885

“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.