SCHEMBL1509213

SCHEMBL1509213

CCCOc1ccc(-c2cc(C(C(=O)O)C(C)(C)C)on2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PPARD Q03181 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDK2 Q15119 1/20 0.36
ACACB O00763 1/20 0.36
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1C4 P17516 1/20 0.35

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
SCHEMBL1436505 0.90 PPARG (0.42) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436617 0.87 AKR1C3 (0.44) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436724 0.86 PPARG (0.41) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1509397 0.83 MAPK8 (0.37) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1509456 0.83 MAPK8 (0.38) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1509419 0.82 AKR1C3 (0.37) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436359 0.82 PPARG (0.37) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436586 0.82 PPARA (0.35) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436649 0.81 MAPT (0.38) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1509421 0.81 ACACB (0.37) PPARGPPARAPTGESALOX5MAPT

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-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections LEIVERS MARTIN 2011-03-03 US disclosed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 US 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 (2 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-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections ACE, ACE2, TPMT PPARG 662/4885PPARA 934/4885PTGES 2394/4885
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections MAVS, ZC3HAV1, IL5 PPARG 715/4885PPARA 1068/4885PTGES 1495/4885

“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.