SCHEMBL127153

SCHEMBL127153

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7336055 0.87 CYP1A2 (0.77) CYP1A2MAPTGAACA12CA1
SCHEMBL536661 0.85 CYP1A2 (0.74) CYP1A2MAPTGAACA12CA1
SCHEMBL1478915 0.84 CYP1A2 (1.00) CYP1A2MAPTGAACA12CA1
SCHEMBL9993619 0.84 CYP1A2 (0.72) CYP1A2MAPTGAACA12CA1
SCHEMBL1698714 0.84 CYP1A2 (0.72) CYP1A2MAPTGAACA12CA1
SCHEMBL14935831 0.84 CYP1A2 (0.72) CYP1A2MAPTGAACA12CA1
SCHEMBL2108801 0.84 CYP1A2 (0.72) CYP1A2MAPTGAACA12CA1
SCHEMBL129687 0.83 MRGPRX4 (0.51) CYP1A2MAPTGAANPC1RAB9A
Hydrochloric Acid SCHEMBL2959591 0.83 CYP1A2 (0.70) CYP1A2MAPTGAACA12CA1
SCHEMBL21371248 0.83 CYP1A2 (0.70) CYP1A2MAPTGAACA12CA1

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 CYP1A2 84/4885MAPT 4877/4885GAA 4647/4885

“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.