SCHEMBL128153

SCHEMBL128153

[CH2]C(CC)(CC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.38
MMP8 P22894 2/20 0.37
PIN1 Q13526 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
SCHEMBL131854 0.81 HCAR2 (0.38) ALDH1A1LMNAKDM4ETHRBTSHR
SCHEMBL8541978 0.79 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL15484274 0.79 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL129847 0.78 ALDH1A1 (0.50) ALDH1A1LMNATSHRATML3MBTL1
SCHEMBL129990 0.78 TSHR (0.45) ALDH1A1TSHRMMP8L3MBTL1
SCHEMBL27641879 0.77 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL129566 0.77
SCHEMBL3576477 0.77
SCHEMBL131019 0.77 DGAT1 (0.36) ALDH1A1HSD17B10MGAMGAASI
SCHEMBL15301624 0.75

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 CYP4F2 105/4885CYP4A11 82/4885ALDH1A1 580/4885

“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.