SCHEMBL23914376

SCHEMBL23914376

C=C1C(=O)O[C@H](c2ccc(N(C)C)cc2)[C@@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.40
MAPT P10636 2/20 0.39
PDGFRB P09619 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
HSD17B2 P37059 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
KDM1A O60341 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 0.85 SMN1; SMN2 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL14427618 0.85 SMN1; SMN2 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5442142 0.85 SMN1; SMN2 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL23914452 0.85 SMN1; SMN2 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL23913983 0.85 SMN1; SMN2 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL23914451 0.85 SMN1; SMN2 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL23914087 0.83 MAOB (0.41) TNKSMAPTRAB9AMEN1KMT2A
SCHEMBL23914439 0.83 MAOB (0.41) TNKSMAPTRAB9AMEN1KMT2A
SCHEMBL23914416 0.80 RAB9A (0.37) MAPTRAB9AALDH1A1TSHRMAPK1
SCHEMBL23913947 0.79 ALDH1A1 (0.52) TNKSMAPTRAB9ANPC1HPGD

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 TNKS 556/4885MAPT 3922/4885PDGFRB 4257/4885

“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.