SCHEMBL23914339

SCHEMBL23914339

C=C1C(=O)O[C@H](c2ccccc2OC)[C@@H]1c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 2/20 0.38
SLK Q9H2G2 2/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP19A1 P11511 2/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
TRIM24 O15164 1/20 0.35
FADS1 O60427 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
NR3C1 P04150 1/20 0.34
MEN1 O00255 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
SCHEMBL23913942 0.87 ALDH1A1 (0.38) CYP19A1MAPTALDH1A1ARKDM4E
SCHEMBL23914283 0.82 LDHA (0.39) CYP19A1ARFADS1DRD2DRD3
SCHEMBL23914329 0.79 NPBWR1 (0.40) CYP19A1GRM5MAPTALDH1A1KDM4E
SCHEMBL23913797 0.75 ESR1 (0.39) CYP19A1GRM5ARFADS1DRD2
SCHEMBL23914355 0.74 P2RX3 (0.42) MEN1KMT2A
SCHEMBL23913786 0.73 MEN1 (0.39) CYP19A1MAPTALDH1A1KDM4EMEN1
SCHEMBL23914409 0.72 GRM5 (0.42) GSK3BGRM5ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23913796 0.72 MEN1 (0.40) MAPTALDH1A1KDM4ESMN1; SMN2ACHE
SCHEMBL23914431 0.68 TNKS (0.40) CYP19A1MAPTALDH1A1ARKDM4E
SCHEMBL23913791 0.68 TNKS (0.40) CYP19A1MAPTALDH1A1ARKDM4E

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 STK10 39/4885SLK 132/4885CLK2 3163/4885

“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.