SCHEMBL126800

SCHEMBL126800

[CH2]CCCCOCC1CCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SPHK1 Q9NYA1 12/20 0.37
SPHK2 Q9NRA0 4/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL131035 0.98 SPHK1 (0.40) TSHRSPHK1SPHK2GBA1UGCG
SCHEMBL131976 0.93 SPHK1 (0.35) TSHRSPHK1SPHK2GBA1UGCG
SCHEMBL126794 0.91 TSHR (0.41) TSHRSPHK1SPHK2GBA1UGCG
SCHEMBL128161 0.88 TSHR (0.39) TSHRSPHK1SPHK2GBA1UGCG
SCHEMBL129491 0.86
SCHEMBL128798 0.83
SCHEMBL7298656 0.82 NAAA (0.33) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL6305480 0.79 SPHK1 (0.38) SPHK1SPHK2GBA1UGCGGBA2
SCHEMBL7303667 0.79 SPHK2 (0.35) TSHRSPHK1SPHK2GBA1UGCG
SCHEMBL127440 0.77 ALDH1A1 (0.53) TSHRSPHK1SPHK2GBA1UGCG

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 1420/4885SPHK1 772/4885SPHK2 730/4885

“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.