SCHEMBL132098

SCHEMBL132098

Cc1ccc(C(C)(C)C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PPARA Q07869 1/20 0.33

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
SCHEMBL8344894 0.82 DAO (0.45) DAOLMNATSHRKMT2AMAPT
SCHEMBL27618485 0.82 KMT2A (0.44) DAOLMNATSHRKMT2AMAPT
SCHEMBL1492685 0.78 DAO (0.45) DAOLMNATSHRKMT2AALDH1A1
SCHEMBL132097 0.78 TSHR (0.37) DAOLMNATSHRKMT2AMAPT
SCHEMBL27736198 0.78 DAO (0.55) DAOLMNATSHRKMT2AMAPT
SCHEMBL11725549 0.73 CYP2C9 (0.47) DAOLMNATSHRKMT2AMAPT
SCHEMBL6080826 0.73 LMNA (0.34) DAOLMNATSHRKMT2AALDH1A1
SCHEMBL128148 0.73 MAPT (0.38) DAOLMNATSHRKMT2AMAPT
SCHEMBL279712 0.72 MAPK1 (0.39) DAOLMNATSHRKMT2AMAPT
SCHEMBL14227644 0.72 MAPK1 (0.39) DAOLMNATSHRKMT2AMAPT

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 DAO 388/4885LMNA 1679/4885TSHR 1420/4885

“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.