SCHEMBL29618948

SCHEMBL29618948

O=C(NCc1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.44
OPRD1 P41143 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HIF1A Q16665 1/20 0.43
MEP1B Q16820 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL119110 1.00 KMT2A (0.53) KMT2AEPHX2NR1H4OPRD1RAB9A
SCHEMBL29679265 1.00 KMT2A (0.53) KMT2AEPHX2NR1H4OPRD1RAB9A
SCHEMBL7828581 0.93 KMT2A (0.47) KMT2AEPHX2NR1H4OPRD1RAB9A
Benzoic Acid SCHEMBL27028192 0.91 KMT2A (0.56) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL22498215 0.90 KMT2A (0.55) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL5551698 0.88 KMT2A (0.49) KMT2AEPHX2OPRD1RAB9ANPC1
SCHEMBL3064762 0.88 EPHX2 (0.49) KMT2AEPHX2HIF1A
SCHEMBL1855344 0.88 EPHX2 (0.53) KMT2AEPHX2NR1H4
SCHEMBL14452747 0.87 EPHX2 (0.48) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL3177417 0.87 KMT2A (0.62) KMT2AEPHX2OPRD1FABP7FABP5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-20230000891-A1 HYBRID AMPHOTERICIN B DERIVATIVES WITH REDUCED TOXICITY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2023-01-05 US disclosed
CN-114502173-A Mixed amphotericin B derivatives with reduced toxicity 伊利诺伊大学评议会 2022-05-13 CN 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-20230000891-A1 HYBRID AMPHOTERICIN B DERIVATIVES WITH REDUCED TOXICITY ERG28, PAICS, CERT1 KMT2A 3478/4885EPHX2 684/4885NR1H4 1697/4885

“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.