SCHEMBL126632

SCHEMBL126632

[CH2]Cc1cccc(C(C)(C)C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
HCRTR1 O43613 10/20 0.33
HCRTR2 O43614 10/20 0.33
HSD11B1 P28845 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER2 P43116 2/20 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
SCHEMBL23355691 0.85 NPSR1 (0.36) NPSR1HCRTR1HCRTR2HSD11B1BRD4
SCHEMBL130926 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL126953 0.77 TSHR (0.33) HSD11B1KMT2A
SCHEMBL126954 0.75 RAB9A (0.43) MEN1OPRM1OPRD1KMT2A
SCHEMBL3509089 0.74 ALDH1A1 (0.37) HSD11B1KMT2A
SCHEMBL31216648 0.74 P2RX7 (0.47)
SCHEMBL4093369 0.74 CYP3A4 (0.57) MEN1KMT2A
SCHEMBL898275 0.71 POLB (0.41) NPSR1
SCHEMBL129240 0.71 P2RX7 (0.43)
SCHEMBL134484 0.69 KDM4E (0.61) BRD4KMT2A

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 5 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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 NPSR1 859/4885HCRTR1 282/4885HCRTR2 237/4885

“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.