SCHEMBL23914439

SCHEMBL23914439

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC4 P56524 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MMP2 P08253 1/20 0.36
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL23914087 1.00 MAOB (0.41) MAOBMEN1KMT2AHDAC4TNKS
SCHEMBL23914349 0.95 ALDH1A1 (0.39) MAOBMEN1KMT2ATNKSPARP1
SCHEMBL23913983 0.89 SMN1; SMN2 (0.39) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL5442142 0.89 SMN1; SMN2 (0.39) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL14427618 0.89 SMN1; SMN2 (0.39) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL23913984 0.89 SMN1; SMN2 (0.39) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL23914452 0.89 SMN1; SMN2 (0.39) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL23914451 0.89 SMN1; SMN2 (0.39) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL23913793 0.84 ACHE (0.44) MAOBMEN1KMT2AALDH1A1LMNA
SCHEMBL23914416 0.83 RAB9A (0.37) ALDH1A1LMNAMAPTRAB9AMMP2

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 MAOB 3902/4885MEN1 1587/4885KMT2A 2354/4885

“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.