SCHEMBL17033396

SCHEMBL17033396

CNCCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.70
▸ CTNNB1 P35222 12/20 0.67
▸ WNT3A P56704 8/20 0.67
▸ PKM P14618 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ ATM Q13315 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ KLF5 Q13887 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ALDH3A1 P30838 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ NPC1 O15118 1/20 0.56

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
SCHEMBL19399114 0.91 CTNNB1 (0.64) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL653025 0.85 PKM (0.87) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL20827392 0.83 HPGD (1.00) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL1535157 0.80 ATM (0.72) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL10027736 0.80 CTNNB1 (1.00) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL27611333 0.80 HPGD (0.82) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL22638726 0.80 CTNNB1 (0.72) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL22638740 0.80 HPGD (0.71) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL1443787 0.80 PKM (1.00) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL26728280 0.80 ATM (0.71) HPGDCTNNB1WNT3APKMTSHR

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-20150237857-A1 ANTIBACTERIAL INHIBITORS MCMASTER UNIVERSITY (CA) 2015-08-27 — — 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-20150237857-A1 ANTIBACTERIAL INHIBITORS MRPL21, Q6ZSR9, SPOUT1 HPGD 1747/4885CTNNB1 4248/4885WNT3A 3980/4885

“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.

Send feedback