SCHEMBL23766640

SCHEMBL23766640

O=CNCC(O)CNC=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.52
ADH1A P07327 4/20 0.52
ADH1C P00326 3/20 0.52
KDM4E B2RXH2 1/20 0.39
ADH7 P40394 3/20 0.35
EPHX1 P07099 1/20 0.31
ADH4 P08319 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL123088 0.86
SCHEMBL3859640 0.86
SCHEMBL5878360 0.85 KDM4E (0.61) ADH1BADH1AADH1CKDM4EADH7
SCHEMBL1002824 0.84
SCHEMBL8070055 0.84
SCHEMBL5878376 0.84
SCHEMBL13875203 0.82 ADH1B (0.43) ADH1BADH1AADH1CKDM4EADH7
SCHEMBL3670984 0.81
SCHEMBL15904135 0.80 SLC22A6 (0.52) ADH1BADH1AADH1CKDM4E
SCHEMBL16350144 0.78 ADH1B (0.39) ADH1BADH1AADH1CKDM4EADH7

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-20210253517-A1 METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-19 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-20210253517-A1 METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF SLC6A15, SLC6A19, ALAD ADH1B 583/4885ADH1A 1881/4885ADH1C 2020/4885

“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.