SCHEMBL23913799

SCHEMBL23913799

C=C1C(=O)O[C@H](c2c(OC)cc(OC)cc2OC)[C@@H]1c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.40
SLC2A1 P11166 2/20 0.38
FKBP1A P62942 1/20 0.38
KDM1A O60341 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
ABCC1 P33527 1/20 0.37
MAP2K3 P46734 1/20 0.37
EIF4A1 P60842 2/20 0.36
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23913787 0.84 KDM1A (0.46) ALDH1A1KDM1AHPGDCYP3A4MAPK1
SCHEMBL23914348 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ESLC2A1ABCC1MAP2K3
SCHEMBL23914409 0.82 GRM5 (0.42) ALDH1A1KDM4EKDM1ACYP3A4MAPK1
SCHEMBL23913796 0.82 MEN1 (0.40) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL23913942 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EKDM1AMAPK1CA1
SCHEMBL23914329 0.78 NPBWR1 (0.40) ALDH1A1KDM4EKDM1ACYP3A4MEN1
SCHEMBL23913790 0.75 ALDH1A1 (0.46) ALDH1A1KDM1A
SCHEMBL23914279 0.75 ALDH1A1 (0.46) ALDH1A1KDM1A
SCHEMBL23913791 0.74 TNKS (0.40) ALDH1A1KDM4EKDM1AMEN1MAPT
SCHEMBL23914431 0.74 TNKS (0.40) ALDH1A1KDM4EKDM1AMEN1MAPT

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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM ALDH1A1 2164/4885KDM4E 2541/4885SLC2A1 4130/4885

“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.