SCHEMBL4897968

SCHEMBL4897968

O=C(O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 1.00
THRA P10827 13/20 1.00
RHEB Q15382 1/20 0.43
PPARG P37231 1/20 0.42
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4887024 0.93 THRB (0.86) THRBTHRAPPARG
SCHEMBL15112593 0.86 THRB (0.76) THRBTHRAPPARG
SCHEMBL4896502 0.86 THRB (1.00) THRBTHRARHEB
SCHEMBL4899367 0.83 THRB (0.71) THRBTHRARHEBPPARGPARP15
SCHEMBL8194213 0.77 THRA (0.62) THRBTHRARHEBPARP15PARP10
SCHEMBL3690505 0.76 THRA (0.73) THRBTHRA
SCHEMBL3961299 0.75 PARP10 (0.61) THRBTHRAPARP15PARP10
SCHEMBL7312468 0.73 THRA (0.58) THRBTHRAPARP15PARP10
SCHEMBL4898288 0.72 THRA (0.75) THRBTHRA
SCHEMBL3684301 0.72 THRA (0.71) THRBTHRA

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 559/4885RHEB 3294/4885

“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.