SCHEMBL127736

SCHEMBL127736

[CH2]Cc1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC13A5 Q86YT5 2/20 0.39
NR1H4 Q96RI1 3/20 0.38
APP P05067 1/20 0.38
BLM P54132 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
EPHX2 P34913 1/20 0.37
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL3497043 0.82 MAPT (0.52) HRH3MAPTKMT2AAPPAKR1C3
SCHEMBL55105 0.82 PPARA (0.55) HRH3MAPTKMT2ASLC13A5APP
SCHEMBL127737 0.82 ALDH1A1 (0.52) HRH3MAPTKMT2ASLC13A5
SCHEMBL127443 0.81 MAPT (0.43) HRH3MAPTKMT2AAPPAKR1C3
SCHEMBL10975329 0.80 CA1 (0.44) HRH3MAPTKMT2ASLC13A5APP
SCHEMBL28806244 0.80 ESR1 (0.52) HRH3MAPTKMT2ASLC13A5APP
SCHEMBL479996 0.80 CES2 (0.46) HRH3MAPTKMT2ASLC13A5APP
SCHEMBL27511914 0.80 KDM4E (0.46) HRH3MAPTKMT2ABLM
SCHEMBL7182175 0.80 RXRA (0.54) NR1H4EPHX2
SCHEMBL11439832 0.80 HRH3 (0.49) HRH3SLC13A5NR1H4PPARA

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 HRH3 475/4885MAPT 4877/4885KMT2A 3400/4885

“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.