SCHEMBL646091

SCHEMBL646091

O=C(CCc1ccccc1)Oc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.51
PLAAT3 P53816 2/20 0.50
PLAAT5 Q96KN8 2/20 0.50
PLAAT2 Q9NWW9 2/20 0.50
PLAAT4 Q9UL19 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
FFAR1 O14842 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
OPRM1 P35372 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47

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
SCHEMBL19120727 0.90 MAPT (0.56) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27383420 0.88 FFAR1 (0.48) KMT2AALDH1A1MAPTFFAR1PPARG
SCHEMBL3450853 0.85 BCHE (0.48) KMT2AALDH1A1MAPTFFAR1PPARG
SCHEMBL1050111 0.84 KMT2A (0.73) KMT2ATDP1ALDH1A1MAPTFFAR1
SCHEMBL27744906 0.83 KMT2A (0.56) KMT2ATDP1ALDH1A1MAPTFFAR1
SCHEMBL28968066 0.83 KMT2A (0.59) KMT2ATDP1PLAAT3PLAAT5PLAAT2
SCHEMBL27656774 0.83 KMT2A (0.68) KMT2ATDP1PLAAT3PLAAT5PLAAT2
SCHEMBL10882168 0.82 KMT2A (0.71) KMT2ATDP1ALDH1A1MAPTFFAR1
SCHEMBL13978646 0.82 KMT2A (0.66) KMT2ATDP1ALDH1A1MAPTFFAR1
Hydrogen Sulfide SCHEMBL28066373 0.82 KMT2A (0.71) KMT2ATDP1ALDH1A1MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
CN-101328163-A Compounds, compositions and methods SMITHKLINE BEECHAM CORP (US) 2008-12-24 CN disclosed
CN-100381437-C Compounds, compositions and methods CYTOKINETICS INC (US) 2008-04-16 CN disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
CN-1662508-A Compounds, compositions and methods CYTOKINETICS INC (US) 2005-08-31 CN disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
EP-0664788-A1 SUBSTITUTED ETHANOLAMINE ESTERS Byk Nederland BV (NL) 1995-08-02 EP disclosed
WO-1994008945-A1 SUBSTITUTED ETHANOLAMINE ESTERS BYK NEDERLAND BV (NL) 1994-04-28 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 (5 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-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 KMT2A 1606/4885TDP1 562/4885PLAAT3 1270/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KMT2A 2046/4885TDP1 918/4885PLAAT3 2082/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KMT2A 2046/4885TDP1 918/4885PLAAT3 2082/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KMT2A 2046/4885TDP1 918/4885PLAAT3 2082/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KMT2A 2046/4885TDP1 918/4885PLAAT3 2082/4885

“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.