SCHEMBL23914306

SCHEMBL23914306

C=C1C(=O)OC(c2ccc3ccccc3c2)C1c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 6/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.35
GSK3B P49841 1/20 0.34
ADK P55263 1/20 0.34
GSTP1 P09211 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MMP13 P45452 1/20 0.33

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
SCHEMBL23914308 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23914304 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL30528429 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23914072 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23914398 0.94 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23913939 0.94 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23914100 0.94 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23914288 0.94 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL30528444 0.90 CYP2A6 (0.41) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL23913987 0.84 ALDH1A1 (0.40) SLC6A2SLC6A4SLC6A3ESR1ESR2

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 SLC6A2 4850/4885SLC6A4 4444/4885SLC6A3 4632/4885

“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.