SCHEMBL31031135

SCHEMBL31031135

O=C(Cl)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.56
PTGER1 P34995 2/20 0.53
S1PR5 Q9H228 1/20 0.52
GLRA1 P23415 1/20 0.50
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
ACP1 P24666 1/20 0.48
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46

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
SCHEMBL229472 0.88 MRGPRX4 (0.69) MRGPRX4PTGER1S1PR5HPGDRAB9A
SCHEMBL29557477 0.86 HPGD (0.59) MRGPRX4PTGER1GLRA1NPC1HPGD
SCHEMBL1599431 0.86 HPGD (0.59) MRGPRX4PTGER1GLRA1NPC1HPGD
SCHEMBL5457607 0.86 MRGPRX4 (0.54) MRGPRX4PTGER1S1PR5NPC1HPGD
SCHEMBL2744895 0.85 PARP10 (0.59) MRGPRX4PTGER1S1PR5NPC1HPGD
SCHEMBL4747320 0.85 MAOB (0.59) MRGPRX4PTGER1S1PR5NPC1HPGD
SCHEMBL8512033 0.84 SLC6A2 (0.57) MRGPRX4PTGER1S1PR5NPC1HPGD
SCHEMBL9341900 0.84 NPC1 (0.54) MRGPRX4PTGER1S1PR5NPC1HPGD
SCHEMBL8756076 0.84 MRGPRX4 (0.61) MRGPRX4PTGER1GLRA1NPC1HPGD
SCHEMBL4161097 0.83 NPC1 (0.53) MRGPRX4PTGER1S1PR5NPC1HPGD

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-20240254135-A1 POLYPHENOL COMPOUNDS EPIRIUM BIO INC (US) 2024-08-01 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-20240254135-A1 POLYPHENOL COMPOUNDS COMT, MAPT, PPARG MRGPRX4 4823/4885PTGER1 2493/4885S1PR5 4213/4885

“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.