SCHEMBL23914451

SCHEMBL23914451

C=C1C(=O)OC(c2ccccccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.37
CA2 P00918 1/20 0.37
EDNRA P25101 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2B P41595 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL23913984 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23914452 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL14427618 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL5442142 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23913983 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2EDNRARAB9A
SCHEMBL23914087 0.89 MAOB (0.41) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL23914416 0.89 RAB9A (0.37) SMN1; SMN2ALDH1A1CA2RAB9ASLC6A3
SCHEMBL23914439 0.89 MAOB (0.41) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL23913947 0.85 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1EDNRARAB9ALMNA
SCHEMBL23914376 0.85 TNKS (0.40) ALDH1A1RAB9AMAPTMAPK1KDM4E

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 SMN1; SMN2 2299/4885ALDH1A1 2164/4885CA2 4782/4885

“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.