SCHEMBL13971253

SCHEMBL13971253

C=CCOC(=O)COc1ccc(/C=N/c2ccccc2)c(OCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL13956334 0.91 HPGD (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL13971161 0.90 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL13956323 0.87 MAOB (0.47) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL13786667 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL13956282 0.81 MAOB (0.52) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL13956302 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL13786603 0.77 MAOB (0.53) ALDH1A1HPGDHSD17B10MAPTGAA
SCHEMBL14221547 0.75 GAA (0.47) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL13786439 0.73 MAOB (0.46) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL14204715 0.73 DHODH (0.43) ALDH1A1MAPTGAALMNACYP1A2

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-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 — — 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-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 ALDH1A1 366/4885HPGD 57/4885KDM4E 215/4885

“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.

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