SCHEMBL4896792

SCHEMBL4896792

COc1cccc(COc2c(C(C)C)cc(C(=O)C(=O)O)cc2C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.57
MRGPRX4 Q96LA9 3/20 0.55
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
MAOB P27338 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FFAR1 O14842 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL4900153 0.84 GLRA1 (0.52) GLRA1MRGPRX4MAOBSMN1; SMN2TP53
SCHEMBL4898911 0.84 GLRA1 (0.58) GLRA1MRGPRX4PTPRCPTPN1MAOB
SCHEMBL4894163 0.84 MRGPRX4 (0.59) MRGPRX4PTPRCPTPN1MAOBSMN1; SMN2
SCHEMBL4896413 0.83 MRGPRX4 (0.57) MRGPRX4PTPRCPTPN1MAOBSMN1; SMN2
SCHEMBL4888400 0.77 GLRA1 (0.54) GLRA1MRGPRX4PTPRCPTPN1FFAR1
SCHEMBL16860678 0.75 GLRA1 (0.79) GLRA1MRGPRX4SMN1; SMN2MEN1KMT2A
SCHEMBL27955353 0.74 MRGPRX4 (0.65) MRGPRX4MAOBSMN1; SMN2TP53PKM
SCHEMBL16860746 0.73 GLRA1 (1.00) GLRA1MRGPRX4MAOBSMN1; SMN2MEN1
SCHEMBL6274294 0.73 MRGPRX4 (0.48) MRGPRX4MAOBSMN1; SMN2TP53PKM
SCHEMBL2682408 0.73 CES2 (0.81) MAOBSMN1; SMN2MEN1KMT2APKM

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 GLRA1 926/4885MRGPRX4 344/4885PTPRC 2648/4885

“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.