SCHEMBL23914355

SCHEMBL23914355

C=C1C(=O)O[C@H](c2ccccc2OC)[C@@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD4 P21917 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL23914096 0.81 MEN1 (0.40) KMT2ALMNAMEN1
SCHEMBL23913942 0.81 ALDH1A1 (0.38) KMT2ALMNATSHRMEN1USP2
SCHEMBL23914366 0.81 CYP2C19 (0.41) P2RX3LMNA
SCHEMBL23914348 0.81 ALDH1A1 (0.43) LMNA
SCHEMBL23914441 0.77 CYP2C19 (0.48) KMT2ALMNANPSR1MEN1L3MBTL1
SCHEMBL23913786 0.76 MEN1 (0.39) KMT2ALMNAMEN1USP2L3MBTL1
SCHEMBL23914339 0.74 STK10 (0.38) KMT2AMEN1
SCHEMBL23914083 0.69 ALDH1A1 (0.45) TNKSTNKS2KMT2ALMNATSHR
SCHEMBL23913947 0.69 ALDH1A1 (0.52) TNKSLMNATSHRNPSR1USP2
SCHEMBL23914088 0.69 ALDH1A1 (0.52) TNKSLMNATSHRNPSR1USP2

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 P2RX3 4720/4885TNKS 556/4885TNKS2 2018/4885

“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.