SCHEMBL644294

SCHEMBL644294

O=C(CCc1ccccc1)c1ccc(Cl)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.54
CYP19A1 P11511 1/20 0.54
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MGLL Q99685 1/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 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
SCHEMBL10830275 0.88 MEN1 (0.67) ALOX15MAPK1MEN1KMT2AMAPT
SCHEMBL29585610 0.84 PIK3CA (0.59) ALOX15MAPK1MEN1KMT2AMAPT
SCHEMBL30065457 0.84 GAA (0.66) MAPK1MEN1KMT2AMAPTGAA
SCHEMBL7301852 0.84 GAA (0.66) MAPK1MEN1KMT2AMAPTGAA
SCHEMBL13988809 0.83 MEN1 (0.48) ALOX15MAPK1MEN1KMT2AMAPT
SCHEMBL13988806 0.83 MEN1 (0.48) ALOX15MAPK1MEN1KMT2AMAPT
SCHEMBL20576964 0.81 MAPT (0.54) MEN1KMT2AMAPTGAACYP19A1
SCHEMBL29215689 0.81 HSP90AA1 (0.59) ALOX15MAPK1MEN1KMT2AMAPT
SCHEMBL3677145 0.81 MPO (0.61) ALOX15MAPK1MEN1KMT2AMAPT
SCHEMBL10988386 0.81 CYP19A1 (0.76) ALOX15MAPK1MEN1KMT2AMAPT

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 41 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-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 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
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
EP-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 EP disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 US disclosed
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 EP disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 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 ALOX15 3430/4885MAPK1 1895/4885MEN1 1225/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALOX15 2250/4885MAPK1 3465/4885MEN1 1461/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALOX15 2250/4885MAPK1 3465/4885MEN1 1461/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALOX15 2250/4885MAPK1 3465/4885MEN1 1461/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 ALOX15 2250/4885MAPK1 3465/4885MEN1 1461/4885

“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.