SCHEMBL23914073

SCHEMBL23914073

O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)C1CS

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.37
FASN P49327 1/20 0.36
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
PLA2G6 O60733 2/20 0.32
PLA2G4A P47712 1/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FABP7 O15540 1/20 0.31

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
SCHEMBL23914312 0.79 CTRB1 (0.35) CTRB1FASNRAB9ASLC6A3PLA2G6
SCHEMBL23914311 0.79 CTRB1 (0.35) CTRB1FASNRAB9ASLC6A3PLA2G6
SCHEMBL13095128 0.77 HDAC4 (0.34) CTRB1FASNRAB9ASLC6A3KDM4E
SCHEMBL10527275 0.76 RAB9A (0.44) RAB9ASLC6A3KDM4EPOLBMAPT
SCHEMBL23914286 0.76 CTRB1 (0.36) CTRB1POLBALDH1A1PLA2G6PLA2G4A
SCHEMBL23914326 0.73 MEN1 (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23914260 0.73 HDAC4 (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23914285 0.72 ADRB2 (0.33) CTRB1RAB9AKDM4EMAPTF2
SCHEMBL23914420 0.70 ALDH1A1 (0.41) RAB9ASLC6A3POLBMAPTALDH1A1
SCHEMBL23914069 0.70 ALDH1A1 (0.41) RAB9ASLC6A3POLBMAPTALDH1A1

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 CTRB1 4601/4885FASN 2219/4885RAB9A 3395/4885

“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.