SCHEMBL131584

SCHEMBL131584

CCCCC[CH]C(=O)OCCCC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
TSHR P16473 3/20 0.59
HPGD P15428 1/20 0.59
HCAR2 Q8TDS4 3/20 0.55
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAAA Q02083 1/20 0.45
FAAH O00519 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL4740627 0.98 ATM (0.61) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL2485450 0.98 ATM (0.61) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL11259256 0.94 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL8815436 0.94 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL5164772 0.94 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL1888897 0.94 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL11257102 0.94 HCAR2 (0.59) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL128719 0.94 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL127668 0.92 ATM (0.52) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL3772230 0.92 HCAR2 (0.58) ATMTSHRHPGDHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107138287-B Sulfide ore flotation combined collecting agent and application 沈阳有色金属研究院 2020-03-24 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
EP-1945705-B1 PHOTOLATENT SYSTEMS BASF SE (DE) 2011-10-19 EP disclosed
US-7820865-B2 Photolatent systems CIBA CORPORATION (US) 2010-10-26 US disclosed
US-20090162307-A1 Photolatent Systems CIBA CORP. 2009-06-25 US 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-1945705-A1 PHOTOLATENT SYSTEMS Ciba Holding Inc. (CH) 2008-07-23 EP disclosed
WO-2007054446-A1 PHOTOLATENT SYSTEMS CIBA HOLDING INC. (CH) 2007-05-18 WO disclosed
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed
CN-1232461-A Neuraminic acid compounds SANKYO CO (JP) 1999-10-20 CN 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 (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-20090162307-A1 Photolatent Systems CCNT1, CCNT2, C1S ATM 1060/4885TSHR 1824/4885HPGD 2499/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ATM 3121/4885TSHR 1420/4885HPGD 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.