SCHEMBL23914374

SCHEMBL23914374

C=C1C(=O)O[C@H](c2ccc(OC)cc2)[C@@H]1c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.42
EDNRB P24530 2/20 0.42
ALDH1A1 P00352 4/20 0.39
MAPT P10636 6/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 2/20 0.38
LMNA P02545 3/20 0.36
THRB P10828 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TNKS O95271 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL23914438 0.86 MEN1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL23914347 0.84 HDAC4 (0.38) EDNRAALDH1A1RAB9ANPC1GID4
SCHEMBL23914083 0.83 ALDH1A1 (0.45) EDNRAEDNRBALDH1A1MAPTRAB9A
SCHEMBL23914267 0.82 KMT2A (0.44) EDNRAEDNRBALDH1A1MAPTRAB9A
SCHEMBL23913947 0.82 ALDH1A1 (0.52) EDNRAEDNRBALDH1A1MAPTRAB9A
SCHEMBL23914088 0.82 ALDH1A1 (0.52) EDNRAEDNRBALDH1A1MAPTRAB9A
SCHEMBL23913786 0.81 MEN1 (0.39) ALDH1A1MAPTLMNATHRBKDM4E
SCHEMBL23913803 0.80 EDNRA (0.36) EDNRAEDNRBALDH1A1MAPTRAB9A
SCHEMBL23913938 0.78 ALDH1A1 (0.42) ALDH1A1MAPTRAB9AHPGDNPC1
SCHEMBL23913793 0.78 ACHE (0.44) EDNRAEDNRBALDH1A1MAPTRAB9A

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 EDNRA 4076/4885EDNRB 4553/4885ALDH1A1 2164/4885

“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.