SCHEMBL4896413

SCHEMBL4896413

COc1cccc(COc2c(Cl)cc(C(=O)C(=O)O)cc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.57
PTPRC P08575 1/20 0.52
PTPN1 P18031 1/20 0.52
MAOB P27338 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 3/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CTBP2 P56545 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
SCHEMBL4894163 0.86 MRGPRX4 (0.59) MRGPRX4PTPRCPTPN1MAOBSMN1; SMN2
SCHEMBL4896792 0.83 GLRA1 (0.57) MRGPRX4PTPRCPTPN1MAOBSMN1; SMN2
SCHEMBL8405447 0.83 MAOB (0.54) MRGPRX4MAOBSMN1; SMN2HTTALDH1A1
SCHEMBL4897119 0.82 THRA (0.56) MRGPRX4PTPRCPTPN1MAOBSMN1; SMN2
SCHEMBL15680256 0.79 KDM4E (0.53) MRGPRX4PTPRCPTPN1SMN1; SMN2RAB9A
SCHEMBL4893166 0.76 PTPRC (0.45) MRGPRX4PTPRCPTPN1MEN1KMT2A
SCHEMBL27955353 0.75 MRGPRX4 (0.65) MRGPRX4MAOBSMN1; SMN2TP53RAB9A
SCHEMBL4265055 0.74 MRGPRX4 (0.64) MRGPRX4MAOBSMN1; SMN2TP53RAB9A
SCHEMBL8408385 0.74 MAOB (0.45) MRGPRX4MAOBSMN1; SMN2HTTALDH1A1
SCHEMBL22490890 0.74 MRGPRX4 (0.50) MRGPRX4PTPN1SMN1; SMN2TP53RAB9A

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
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 WO 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 MRGPRX4 344/4885PTPRC 2648/4885PTPN1 1453/4885

“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.