SCHEMBL132097

SCHEMBL132097

[CH2]c1ccc(C(C)(C)C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
DAO P14920 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
YEATS4 O95619 1/20 0.31
BLM P54132 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL132098 0.78 DAO (0.47) TSHRLMNAKMT2AMAPK1DAO
SCHEMBL1492685 0.76 DAO (0.45) TSHRLMNAKMT2AMAPK1DAO
SCHEMBL27736198 0.76 DAO (0.55) TSHRLMNAKMT2AMAPK1DAO
SCHEMBL128373 0.76 TSHR (0.34) TSHRLMNAKMT2AMAPK1DAO
SCHEMBL128147 0.74 LMNA (0.33) TSHRLMNAKMT2AMAPK1YEATS4
SCHEMBL1522583 0.73 MAPK1 (0.38) TSHRLMNAKMT2AMAPK1YEATS4
SCHEMBL6080826 0.72 LMNA (0.34) TSHRLMNAKMT2AMAPK1DAO
SCHEMBL14275908 0.69 HPGD (0.50) TSHRLMNAKMT2AMAPK1DAO
SCHEMBL20772289 0.68 IKBKB (0.49) KMT2APPARAMAPTCYP2C19CYP1A2
SCHEMBL13812042 0.68 MAPK14 (0.33) TSHRLMNAKMT2AMAPK1

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 TSHR 1420/4885LMNA 1679/4885KMT2A 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.