SCHEMBL13956334

SCHEMBL13956334

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ HSD17B10 Q99714 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ MAOB P27338 4/20 0.38
▸ USP2 O75604 1/20 0.37

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
SCHEMBL13956323 0.92 MAOB (0.47) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL13971253 0.91 ALDH1A1 (0.43) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL13956282 0.85 MAOB (0.52) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL13956302 0.82 ALDH1A1 (0.48) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL13971161 0.81 ALDH1A1 (0.44) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL4957949 0.75 HPGD (0.52) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL4957945 0.75 HPGD (0.52) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL1866841 0.74 CASP1 (0.56) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL114035 0.74 CASP1 (0.56) HPGDALDH1A1MAPTGAAHSD17B10
SCHEMBL9407588 0.73 CASP1 (0.59) HPGDALDH1A1MAPTGAAHSD17B10

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-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 — — US disclosed
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 HPGD 57/4885ALDH1A1 366/4885MAPT 1936/4885

“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