SCHEMBL126589

SCHEMBL126589

[CH2]Cc1cccc(OCC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.46
BTK Q06187 1/20 0.43
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 2/20 0.35
HTR7 P34969 1/20 0.34
GRM5 P41594 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
KCNH2 Q12809 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO1 P15559 1/20 0.33
CETP P11597 1/20 0.33
ADORA2A P29274 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
SCHEMBL12641680 0.84 MAPK8 (0.49) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL2525163 0.81 MAPK8 (0.56) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL18266390 0.81 MAPK8 (0.46) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL1536741 0.81 MAPK8 (0.50) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL128108 0.80 KDM1A (0.44) BTKALDH1A1GRM5ADORA2A
Hydrochloric Acid SCHEMBL9939603 0.79 MAPK8 (0.45) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL23343846 0.78 MAPK8 (0.51) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL9974293 0.78 MAPK8 (0.44) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL15316712 0.78 MAPK8 (0.44) MAPK8BTKNPC1ALDH1A1MAPK1
SCHEMBL21597035 0.77 MAPK8 (0.46) MAPK8BTKNPC1ALDH1A1MAPK1

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 MAPK8 4459/4885BTK 1296/4885NPC1 1907/4885

“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.