SCHEMBL127982

SCHEMBL127982

CCCOC(=O)[CH]CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
APP P05067 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
HSD17B10 Q99714 1/20 0.31
GRIK1 P39086 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
SCHEMBL127528 0.88 ATM (0.59) HCAR2ATMTSHRHPGDAPP
SCHEMBL27756199 0.84 HCAR2 (0.46) HCAR2ATMTSHRHPGDAPP
SCHEMBL128591 0.83 HCAR2 (0.45) HCAR2TSHRALDH1A1LMNAMAPT
SCHEMBL127970 0.80 HCAR2 (0.46) HCAR2ATMTSHRHPGDAPP
SCHEMBL128626 0.78 TSHR (0.59) TSHRHPGDALDH1A1MAPTRAB9A
SCHEMBL129368 0.78
SCHEMBL27692757 0.77 TSHR (0.42) TSHRALDH1A1LMNATDP1HSD17B10
SCHEMBL15913275 0.76 HCAR2 (0.37) HCAR2ATMTSHRALDH1A1LMNA
SCHEMBL126105 0.76 HCAR2 (0.54) HCAR2ATMTSHRHPGDAPP
SCHEMBL10669903 0.76

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 99/4885ATM 3121/4885TSHR 1420/4885

“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.