SCHEMBL127677

SCHEMBL127677

CC(C)CCOCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ADRB1 P08588 2/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SGPL1 O95470 1/20 0.33
S1PR1 P21453 1/20 0.33
ADRB2 P07550 1/20 0.33
GAA P10253 1/20 0.33
BLM P54132 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL16674382 1.00 ALDH1A1 (0.34) ALDH1A1ADRB1LMNACYP2D6MEN1
SCHEMBL16674491 0.92 HSD17B10 (0.34) ALDH1A1ADRB1LMNACYP2D6MEN1
SCHEMBL128458 0.91 GBA1 (0.36) ALDH1A1ADRB1LMNACYP2D6MEN1
SCHEMBL9426350 0.90 SGPL1 (0.30) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL131809 0.88 GBA1 (0.33) ALDH1A1ADRB1LMNACYP2D6MEN1
SCHEMBL26726817 0.81 GBA1 (0.31) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL131694 0.80 GBA1 (0.38) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL13935342 0.80 SGPL1 (0.30) SGPL1S1PR1
SCHEMBL8389778 0.76 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL13954701 0.76 GBA1 (0.33) SGPL1S1PR1GBA1UGCGGBA2

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 ALDH1A1 580/4885ADRB1 371/4885LMNA 1679/4885

“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.