SCHEMBL126953

SCHEMBL126953

[CH2]c1cccc(C(C)(C)C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
P2RX7 Q99572 1/20 0.30
DGAT1 O75907 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
SCHEMBL126954 0.79 RAB9A (0.43) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL4093369 0.78 CYP3A4 (0.57) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL3509089 0.78 ALDH1A1 (0.37) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL31216648 0.78 P2RX7 (0.47) PGK1PGK2P2RX7DGAT1
SCHEMBL126632 0.77 NPSR1 (0.35) KMT2AHSD11B1
SCHEMBL129019 0.76 HCRTR1 (0.33) TSHRPGK1PGK2CYP3A4SMN1; SMN2
SCHEMBL23355691 0.75 NPSR1 (0.36) KMT2AHSD11B1
SCHEMBL898275 0.75 POLB (0.41) KDM4ETDP1ALDH1A1MAPT
SCHEMBL505194 0.69 L3MBTL1 (0.52) TSHRKDM4EALOX15TDP1ALDH1A1
SCHEMBL28994648 0.67 FBP1 (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2

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 TSHR 1420/4885KDM4E 1902/4885ALOX15 81/4885

“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.