SCHEMBL127668

SCHEMBL127668

CCCCC[CH]C(=O)OCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
HCAR2 Q8TDS4 4/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MGLL Q99685 1/20 0.40
FAAH O00519 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EP300 Q09472 1/20 0.39

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
SCHEMBL17707245 0.98 HCAR2 (0.50) ATMHCAR2HPGDTSHRNAAA
SCHEMBL130828 0.94 ATM (0.54) ATMHCAR2HPGDTSHRNAAA
SCHEMBL131584 0.92 ATM (0.63) ATMHCAR2HPGDTSHRNAAA
SCHEMBL4740627 0.90 ATM (0.61) ATMHCAR2HPGDTSHRNAAA
SCHEMBL5164772 0.90 HCAR2 (0.59) ATMHCAR2HPGDTSHRNAAA
SCHEMBL2485450 0.90 ATM (0.61) ATMHCAR2HPGDTSHRNAAA
SCHEMBL11257102 0.90 HCAR2 (0.59) ATMHCAR2HPGDTSHRNAAA
SCHEMBL1888897 0.90 HCAR2 (0.59) ATMHCAR2HPGDTSHRNAAA
SCHEMBL8815436 0.90 HCAR2 (0.59) ATMHCAR2HPGDTSHRNAAA
SCHEMBL11259256 0.90 HCAR2 (0.59) ATMHCAR2HPGDTSHRNAAA

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 8 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
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 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
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-4241079-A ANTHELMINTICS AND FUNGICIDES ROHM AND HAAS COMPANY (US) 1980-12-23 US 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 (2 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-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ATM 2039/4885HCAR2 2326/4885HPGD 3828/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ATM 3121/4885HCAR2 99/4885HPGD 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.