SCHEMBL4898911

SCHEMBL4898911

CC(C)c1cc(C(=O)C(=O)O)cc(C(C)C)c1OCc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.58
MAOB P27338 7/20 0.50
ESR1 P03372 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
NR3C2 P08235 1/20 0.50
AR P10275 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PTPRC P08575 1/20 0.48
PTPN1 P18031 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAOA P21397 2/20 0.44
RECQL P46063 1/20 0.43
KDM5A P29375 1/20 0.43

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) GLRA1MAOBPTPRCPTPN1MRGPRX4
SCHEMBL4897760 0.84 THRB (0.54) GLRA1MAOBESR1NR3C1PGR
SCHEMBL4896813 0.84 MAOB (0.53) MAOBESR1NR3C1PGRNR3C2
SCHEMBL4897119 0.81 THRA (0.56) MAOBESR1NR3C1PGRNR3C2
SCHEMBL4888400 0.78 GLRA1 (0.54) GLRA1THRATHRBPTPRCPTPN1
SCHEMBL16860678 0.76 GLRA1 (0.79) GLRA1MRGPRX4
SCHEMBL31419968 0.74 GLRA1 (0.62) GLRA1MAOBTHRATHRB
SCHEMBL16860746 0.74 GLRA1 (1.00) GLRA1MAOBTHRATHRBMRGPRX4
SCHEMBL4887098 0.72 THRA (0.69) MAOBESR1NR3C1PGRNR3C2
SCHEMBL4890126 0.72 GLRA1 (0.46) GLRA1THRATHRB

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 3895/4885ESR1 58/4885

“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.