SCHEMBL126371

SCHEMBL126371

[CH2]CCC(C)(C)OCCCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL130571 0.86
SCHEMBL27735550 0.85
SCHEMBL30940577 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL1476371 0.82 TSHR (0.44) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL9934675 0.82
SCHEMBL126725 0.81 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL13825811 0.81 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL10002802 0.79 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL27850922 0.79 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL19308264 0.79 CYP3A4 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR

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 ADRB2 335/4885ADRB1 371/4885ADRB3 163/4885

“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.