SCHEMBL128565

SCHEMBL128565

[CH2]CCC(C)(C)C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HCAR2 Q8TDS4 1/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL127972 0.89 ALDH1A1 (0.45) CYP4F2CYP4A11HCAR2ELANEALDH1A1
SCHEMBL8849916 0.85 CYP4F2 (0.46) CYP4F2CYP4A11HCAR2ELANEALDH1A1
SCHEMBL127748 0.83 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL129864 0.83 HCAR2 (0.36) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL27957647 0.83 CYP4F2 (0.44) CYP4F2CYP4A11HCAR2ELANEALDH1A1
SCHEMBL19018809 0.82 CYP4F2 (0.52) CYP4F2CYP4A11HCAR2ELANEALDH1A1
SCHEMBL19018868 0.80 CYP4F2 (0.55) CYP4F2CYP4A11ELANEALDH1A1TSHR
SCHEMBL22519799 0.80 CYP4F2 (0.42) CYP4F2CYP4A11HCAR2ELANEALDH1A1
SCHEMBL1105061 0.79 HCAR2 (0.39) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
SCHEMBL19255989 0.78 CYP4F2 (0.58) CYP4F2CYP4A11ELANETSHR

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-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
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 82/4885HCAR2 99/4885

“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.