SCHEMBL1436617

SCHEMBL1436617

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.44
AKR1C2 P52895 14/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1C4 P17516 2/20 0.44
AKR1C1 Q04828 2/20 0.44
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL1436724 0.93 PPARG (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL1509419 0.91 AKR1C3 (0.37) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL1436505 0.89 PPARG (0.42) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL1509213 0.87 PPARG (0.39) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL1509421 0.86 ACACB (0.37) AKR1C3AKR1C2PPARGPPARAPTGES
SCHEMBL1509439 0.84 PTGES (0.41) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1509456 0.84 MAPK8 (0.38) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436359 0.83 PPARG (0.37) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436649 0.82 MAPT (0.38) PPARGPPARAPTGESALOX5MAPT
SCHEMBL1436625 0.82 PTGES (0.36) 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 4 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
WO-2011026091-A1 IMIDAZOPYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 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 (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 AKR1C3 3399/4885AKR1C2 3098/4885AKR1B10 3387/4885
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections MAVS, ZC3HAV1, IL5 AKR1C3 2525/4885AKR1C2 3000/4885AKR1B10 3270/4885

“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.