SCHEMBL127809

SCHEMBL127809

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.41
CES2 O00748 3/20 0.41
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
FAAH O00519 8/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSD P07339 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL128220 0.78 ALDH1A1 (0.35) FFAR3TSHRALDH1A1MEN1CYP1A2
SCHEMBL126264 0.76
SCHEMBL3230149 0.72 CES1 (0.45) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL11779221 0.70 CES1 (0.43) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL277960 0.70 ALDH1A1 (0.43) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL20917206 0.70 CES1 (0.38) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL128784 0.69
SCHEMBL330284 0.69
SCHEMBL4360379 0.69 CES1 (0.47) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL128662 0.69

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 CES1 336/4885CES2 190/4885HDAC3 203/4885

“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.