SCHEMBL131028

SCHEMBL131028

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
TSHR P16473 2/20 0.38
CA1 P00915 3/20 0.34
CA12 O43570 1/20 0.34
AKR1B10 O60218 1/20 0.34
CA2 P00918 1/20 0.34
AKR1B1 P15121 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL127506 0.80 HCAR2 (0.45) HCAR2TSHRCA1CA12AKR1B10
SCHEMBL130825 0.80 HCAR2 (0.40) HCAR2TSHRCA1TDP1LMNA
SCHEMBL2406517 0.78 HCAR2 (0.43) HCAR2TSHRCA1CA12AKR1B10
SCHEMBL127994 0.78 TSHR (0.57) TSHRCA1TDP1LMNAALDH1A1
SCHEMBL131801 0.77 HCAR2 (0.46) HCAR2TSHRCA1CA12AKR1B10
SCHEMBL127141 0.77 HCAR2 (0.42) HCAR2TSHRCA1CA12CA2
SCHEMBL128928 0.77 LMNA (0.47) HCAR2TSHRCA1CA12AKR1B10
SCHEMBL126207 0.75 LMNA (0.50) HCAR2LMNAALDH1A1
SCHEMBL131152 0.75
SCHEMBL5076270 0.74 LMNA (0.53) TSHRLMNACYP3A4

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 HCAR2 99/4885TSHR 1420/4885CA1 2208/4885

“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.