SCHEMBL23914083

SCHEMBL23914083

C=C1C(=O)O[C@H](c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 6/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
MAOA P21397 1/20 0.44
PTGS2 P35354 1/20 0.44
EDNRA P25101 2/20 0.43
EDNRB P24530 1/20 0.43
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 3/20 0.41
KMT2A Q03164 4/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL23914088 0.95 ALDH1A1 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23913947 0.95 ALDH1A1 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23913793 0.94 ACHE (0.44) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23914267 0.93 KMT2A (0.44) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23914366 0.90 CYP2C19 (0.41) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23913787 0.89 KDM1A (0.46) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL14427629 0.88 CRHBP (0.47) ALDH1A1MAPTNPC1RAB9AMAOA
SCHEMBL23913938 0.85 ALDH1A1 (0.42) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23913808 0.83 MAPT (0.44) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23914102 0.83 MAPT (0.44) ALDH1A1MAPTHPGDNPC1RAB9A

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 2164/4885MAPT 3922/4885HPGD 3331/4885

“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.