SCHEMBL23913787

SCHEMBL23913787

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
EDNRA P25101 2/20 0.39
EDNRB P24530 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MAPT P10636 6/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
CNR1 P21554 1/20 0.37
CASP1 P29466 1/20 0.37
CNR2 P34972 1/20 0.37
CASP7 P55210 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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
SCHEMBL23914083 0.89 ALDH1A1 (0.45) EDNRAEDNRBALDH1A1MAOAMAOB
SCHEMBL23914329 0.88 NPBWR1 (0.40) KDM1AEDNRAALDH1A1MAOBMAPT
SCHEMBL23914409 0.88 GRM5 (0.42) KDM1AALDH1A1CYP3A4SMN1; SMN2MEN1
SCHEMBL23913790 0.85 ALDH1A1 (0.46) KDM1AALDH1A1
SCHEMBL23914279 0.85 ALDH1A1 (0.46) KDM1AALDH1A1
SCHEMBL23914431 0.85 TNKS (0.40) KDM1AALDH1A1MAOAMAOBMAPT
SCHEMBL23914088 0.85 ALDH1A1 (0.52) EDNRAEDNRBALDH1A1MAOAMAOB
SCHEMBL23913947 0.85 ALDH1A1 (0.52) EDNRAEDNRBALDH1A1MAOAMAOB
SCHEMBL23913791 0.85 TNKS (0.40) KDM1AALDH1A1MAOAMAOBMAPT
SCHEMBL23913793 0.83 ACHE (0.44) EDNRAEDNRBALDH1A1MAOAMAOB

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 KDM1A 3481/4885EDNRA 4076/4885EDNRB 4553/4885

“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.