SCHEMBL23913796

SCHEMBL23913796

C=C1C(=O)O[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 2/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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 0.83 KDM1A (0.46) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL23913799 0.82 ALDH1A1 (0.43) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL23914096 0.82 MEN1 (0.40) MEN1KMT2AACHEMAPK3MAPK1
SCHEMBL23913942 0.82 ALDH1A1 (0.38) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL23914409 0.81 GRM5 (0.42) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL23913790 0.78 ALDH1A1 (0.46) ACHEALDH1A1TNKS
SCHEMBL23914279 0.78 ALDH1A1 (0.46) ACHEALDH1A1TNKS
SCHEMBL23913791 0.78 TNKS (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL23914431 0.78 TNKS (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL23913941 0.76 CA2 (0.46) ESR1ESR2TNKS

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 MEN1 1587/4885KMT2A 2354/4885ACHE 4429/4885

“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.