SCHEMBL4897760

SCHEMBL4897760

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.54
THRA P10827 4/20 0.54
ESR1 P03372 1/20 0.54
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
AR P10275 1/20 0.54
GLRA1 P23415 2/20 0.53
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MAOB P27338 6/20 0.48
MAOA P21397 2/20 0.45
SLC26A3 P40879 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
HCAR2 Q8TDS4 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
SCHEMBL4898911 0.84 GLRA1 (0.58) THRBTHRAESR1NR3C1PGR
SCHEMBL4900153 0.84 GLRA1 (0.52) GLRA1FFAR1MAOBMRGPRX4
SCHEMBL4897075 0.83 THRA (0.57) THRBTHRAESR1NR3C1PGR
SCHEMBL4273581 0.81 THRA (0.57) THRBTHRAESR1NR3C1PGR
SCHEMBL4892227 0.78 GLRA1 (0.49) THRBTHRAGLRA1FFAR1FFAR4
SCHEMBL31419968 0.75 GLRA1 (0.62) THRBTHRAGLRA1MAOB
SCHEMBL19610484 0.74 GLRA1 (0.62) THRBTHRAGLRA1FFAR1
SCHEMBL78652 0.74 AKR1B1 (0.58) THRBTHRAESR1NR3C1PGR
Hydrochloric Acid SCHEMBL1374336 0.73 AKR1B1 (0.56) THRBTHRAESR1NR3C1PGR
Methane SCHEMBL10697726 0.73 AKR1B1 (0.56) THRBTHRAESR1NR3C1PGR

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 THRB 792/4885THRA 559/4885ESR1 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.