SCHEMBL1068124

SCHEMBL1068124

COCC(=O)N1C[CH]CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 7/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 7/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 1/20 0.38
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL1066805 0.89 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C19KMT2ACYP2D6
SCHEMBL17397060 0.83 HPGD (0.43) ALDH1A1KMT2AMEN1HPGD
SCHEMBL23210747 0.81
SCHEMBL10644138 0.79 BLM (0.40) ALDH1A1KMT2ATSHRMEN1
SCHEMBL11406691 0.78
SCHEMBL944668 0.78 ALDH1A1 (0.53) ALDH1A1KMT2ACYP1A2TSHRMAPT
SCHEMBL196823 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C19KMT2ACYP2D6
SCHEMBL13450960 0.77 KMT2A (0.52) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL1220310 0.77 KMT2A (0.52) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL512076 0.76 L3MBTL1 (0.47) ALDH1A1KMT2AMAPTMEN1HPGD

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4613157-B2 2011-01-12 JP claimed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US claimed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US claimed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US claimed
EP-1615878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2007-09-19 EP claimed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 US claimed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US claimed
JP-2006515884-A 2006-06-08 JP claimed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP claimed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US claimed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 WO claimed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 US disclosed
US-20090324511-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-12-31 US disclosed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 WO 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 (4 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-20090324511-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885CYP3A4 4703/4885CYP2C19 4720/4885
US-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 ALDH1A1 4359/4885CYP3A4 4637/4885CYP2C19 4630/4885
US-20070066626-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885CYP3A4 4703/4885CYP2C19 4720/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885CYP3A4 4703/4885CYP2C19 4720/4885

“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.