SCHEMBL130568

SCHEMBL130568

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 3/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALOX15 P16050 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL126951 0.83 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL129471 0.80 ALDH1A1 (0.41) ALDH1A1LMNACES2CES1ALOX15
SCHEMBL127436 0.78
SCHEMBL129557 0.76 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL129808 0.74 ALDH1A1 (0.48) ALDH1A1LMNACES2CES1ALOX15
SCHEMBL128839 0.73
SCHEMBL10899580 0.72 ALDH1A1 (0.46) ALDH1A1LMNACES2CES1ALOX15
SCHEMBL133540 0.72 ALDH1A1 (0.46) ALDH1A1LMNACES2CES1ALOX15
SCHEMBL515640 0.72 ALDH1A1 (0.57) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL11232443 0.72 ALDH1A1 (0.57) ALDH1A1LMNACES2CES1FFAR3

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 ALDH1A1 580/4885LMNA 1679/4885CES2 190/4885

“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.