SCHEMBL129671

SCHEMBL129671

[CH2]Cc1cccc(C(C)(C)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PTGDR Q13258 1/20 0.38
HIF1A Q16665 1/20 0.38
APP P05067 1/20 0.38
MAP4K4 O95819 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
PKM P14618 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 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
SCHEMBL129672 0.86 CYP2C19 (0.53) CYP2C19CYP1A2LTB4RLTB4R2CYP4F2
SCHEMBL1124987 0.83 CYP2C19 (0.50) CYP2C19CYP1A2LTB4RLTB4R2CYP4F2
SCHEMBL31477275 0.81 CYP2C19 (0.49) CYP2C19CYP1A2LTB4RLTB4R2CYP4F2
SCHEMBL127736 0.78 HRH3 (0.43) LTB4RLTB4R2MAPTKMT2AAPP
SCHEMBL129591 0.78 CYP1A2 (0.40) CYP2C19CYP1A2CYP4F2CYP4A11MAPT
SCHEMBL289829 0.78 PPARA (0.59) CYP2C19CYP1A2CYP4F2CYP4A11
SCHEMBL2538579 0.77 ACHE (0.43) CYP2C19CYP1A2NR1H4
SCHEMBL125514 0.77 MAPT (0.42) CYP2C19CYP1A2LTB4RLTB4R2CYP4F2
SCHEMBL1643008 0.74 HSD17B1 (0.53) CYP2C19CYP1A2MAPTKMT2AAPP
SCHEMBL1653535 0.74 KIF11 (0.45) CYP2C19MAPTKMT2AAPP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CYP2C19 44/4885CYP1A2 84/4885LTB4R 349/4885

“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.