SCHEMBL31710312

SCHEMBL31710312

CNC(=O)COc1cccc(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
HTT P42858 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.58
MAOB P27338 1/20 0.55
NR4A2 P43354 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
HDAC4 P56524 1/20 0.53
GPR34 Q9UPC5 3/20 0.53
SMPD1 P17405 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL4422103 0.86 MEN1 (0.66) KMT2AMAOBNR4A2MEN1GAA
SCHEMBL31710781 0.83 KMT2A (0.59) KMT2AHTTMEN1GAAKDM4E
SCHEMBL379281 0.81 MAOB (0.67) MRGPRX4MAOBNR4A2NR1H4FFAR4
SCHEMBL2137838 0.79 MRGPRX4 (0.69) MRGPRX4MAOBNR4A2HDAC4
SCHEMBL2858346 0.79 PKM (0.63) KMT2AHTTMEN1GAA
SCHEMBL10272935 0.79 SMN1; SMN2 (0.62) KMT2AHTTMEN1GAAKDM4E
SCHEMBL1171850 0.78 MRGPRX4 (0.65) MRGPRX4MAOBNR4A2NR1H4SMPD1
SCHEMBL12746034 0.78 NR4A2 (0.58) MRGPRX4MAOBNR4A2NR1H4HDAC4
SCHEMBL16180318 0.78 ALDH1A1 (0.53) KMT2AHTTMAOBMEN1GAA
Hydrochloric Acid SCHEMBL10955756 0.77 PKM (0.61) KMT2AHTTMEN1GAA

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-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BAYLOR COLLEGE MEDICINE (US) 2025-10-23 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-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BPGM, PNMT, DDT KMT2A 381/4885HTT 2650/4885MRGPRX4 4175/4885

“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.