SCHEMBL129864

SCHEMBL129864

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 4/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GRM1 Q13255 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL128260 0.88 ALDH1A1 (0.48) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL128565 0.83 CYP4F2 (0.42) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL129290 0.82 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNATSHR
SCHEMBL1105061 0.82 HCAR2 (0.39) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL8849916 0.80 CYP4F2 (0.46) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1164887 0.80 CYP4F2 (0.41) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL7039335 0.78 CYP4F2 (0.40) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL18856225 0.78 HCAR2 (0.36) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL27957647 0.78 CYP4F2 (0.44) HCAR2CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL7105771 0.77 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1

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 HCAR2 99/4885CYP4F2 105/4885CYP4A11 82/4885

“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.