SCHEMBL127994

SCHEMBL127994

CC(C)CC[CH]C(=O)OCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 3/20 0.33
CA1 P00915 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL127141 0.85 HCAR2 (0.42) TSHRALDH1A1TDP1CA1LMNA
SCHEMBL127788 0.83 TSHR (0.57) TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL127970 0.82 HCAR2 (0.46) TSHRALDH1A1HPGDTDP1ACHE
SCHEMBL2409688 0.81 TSHR (0.61) TSHRALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL128626 0.80 TSHR (0.59) TSHRALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL127406 0.80 TSHR (0.59) TSHRALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL130825 0.80 HCAR2 (0.40) TSHRTDP1CA1ACHELMNA
SCHEMBL129292 0.79 TSHR (0.53) TSHRALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL128687 0.79 ATM (0.55) TSHRALDH1A1HPGDTDP1LMNA
SCHEMBL2408629 0.78 TSHR (0.63) TSHRALDH1A1HPGDTDP1SMN1; 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 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 1420/4885ALDH1A1 580/4885HPGD 450/4885

“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.