SCHEMBL130825

SCHEMBL130825

COC(=O)[CH]CCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TSHR P16473 2/20 0.39
CA1 P00915 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GFPT1 Q06210 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
EPHX2 P34913 1/20 0.30
KDM1A O60341 1/20 0.30
ACHE P22303 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
SCHEMBL8744325 0.84 KDM4C (0.38) HCAR2KEAP1NFE2L2TSHRCYP2D6
SCHEMBL127994 0.80 TSHR (0.57) TSHRCA1TDP1LMNAACHE
SCHEMBL131028 0.80 HCAR2 (0.43) HCAR2TSHRCA1TDP1LMNA
SCHEMBL127141 0.78 HCAR2 (0.42) HCAR2TSHRCA1CYP2D6CYP2C19
SCHEMBL28806614 0.78 HCAR2 (0.48) HCAR2KEAP1NFE2L2TSHRCA1
SCHEMBL10903564 0.77 ALDH1A1 (0.38) HCAR2KEAP1NFE2L2TSHR
SCHEMBL125807 0.76
SCHEMBL127970 0.75 HCAR2 (0.46) HCAR2TSHRTDP1LMNAACHE
SCHEMBL130601 0.73
SCHEMBL125279 0.73

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 HCAR2 99/4885KEAP1 183/4885NFE2L2 708/4885

“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.