SCHEMBL128436

SCHEMBL128436

CCCCC[CH]OC(=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
FAAH O00519 3/20 0.43
PPARG P37231 4/20 0.42
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
TOP1 P11387 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
KMT2A Q03164 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL133540 0.94 ALDH1A1 (0.46) ALDH1A1FAAHPPARGTERTPTPN1
SCHEMBL9045302 0.92 DGKA (0.45) ALDH1A1FAAHPPARGTERTPTPN1
SCHEMBL5930620 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL21956085 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL8812664 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL10892398 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL17440355 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL10889536 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL11266899 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD
SCHEMBL11264807 0.90 DGKA (0.53) FAAHPPARGTERTPTPN1PPARD

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 ALDH1A1 580/4885FAAH 403/4885PPARG 1888/4885

“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.