SCHEMBL130828

SCHEMBL130828

CCCC[CH]C(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
HCAR2 Q8TDS4 4/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
APP P05067 1/20 0.37
ACHE P22303 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP3A4 P08684 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL127668 0.94 ATM (0.52) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL17707245 0.92 HCAR2 (0.50) ATMHCAR2TSHRHPGDMAPT
SCHEMBL128719 0.91 ATM (0.65) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL3772230 0.89 HCAR2 (0.58) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL6931235 0.88 HCAR2 (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL126105 0.86 HCAR2 (0.54) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL131584 0.85 ATM (0.63) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL129526 0.84 MAPT (0.46) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL1888897 0.83 HCAR2 (0.59) ATMHCAR2TSHRHPGDALDH1A1
SCHEMBL4740627 0.83 ATM (0.61) ATMHCAR2TSHRHPGDALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072635-B Isoniazid-indoheptamethine cyanine coupling compound and preparation method and application thereof 沈阳药科大学 2021-06-11 CN disclosed
CN-111072635-A Isoniazid-indoheptamethine cyanine coupling compound and preparation method and application thereof 沈阳药科大学 2020-04-28 CN disclosed
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
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 WO disclosed
US-4285856-A IMIDOTHIOESTERS CIBA-GEIGY CORPORATION (US) 1981-08-25 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 (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 ATM 3121/4885HCAR2 99/4885TSHR 1420/4885

“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.