SCHEMBL4900153

SCHEMBL4900153

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.52
MAOB P27338 4/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
FFAR1 O14842 3/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.46
CTBP2 P56545 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PPARD Q03181 1/20 0.45
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 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
SCHEMBL4896792 0.84 GLRA1 (0.57) GLRA1MAOBMRGPRX4FFAR1CTBP2
SCHEMBL4897760 0.84 THRB (0.54) GLRA1MAOBMRGPRX4FFAR1
SCHEMBL4890065 0.84 MRGPRX4 (0.53) MAOBMRGPRX4FFAR1LMNACYP1A2
SCHEMBL4760103 0.79 MAOB (0.67) MAOBMRGPRX4FFAR1LMNATP53
SCHEMBL29824310 0.78 PTGS1 (0.67) LMNACYP1A2CTBP2NFKB1SMN1; SMN2
SCHEMBL229067 0.78 PTGS1 (0.67) LMNACYP1A2CTBP2NFKB1SMN1; SMN2
Hydrochloric Acid SCHEMBL8693464 0.77 CTBP2 (0.65) LMNACYP1A2CTBP2SMN1; SMN2PTGS1
SCHEMBL5598887 0.77 THRB (0.49) GLRA1NFKB1PTGS1AKR1C3AKR1C2
SCHEMBL8218805 0.77 CTBP2 (0.65) LMNACYP1A2CTBP2NFKB1SMN1; SMN2
SCHEMBL4892227 0.77 GLRA1 (0.49) GLRA1FFAR1

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 926/4885MAOB 3895/4885MRGPRX4 344/4885

“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.