SCHEMBL3070543

SCHEMBL3070543

N=P(O)(Oc1ccccc1)OP(=O)(O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ANPEP P15144 2/20 0.40
LAP3 P28838 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
TSHR P16473 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
SCHEMBL3068581 0.86 SRC (0.63) SRCL3MBTL1TDP1ALDH1A1CYP2C9
SCHEMBL932242 0.86 SRC (0.67) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL1653061 0.82 SRC (0.68) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL3070567 0.81 SRC (0.58) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL37038 0.81 SRC (0.73) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL27676341 0.81 SRC (0.73) SRCL3MBTL1TDP1POLBALDH1A1
Benzene SCHEMBL11142811 0.81 SRC (0.73) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL343723 0.80 SRC (0.59) SRCL3MBTL1TDP1POLBALDH1A1
Methane SCHEMBL11699189 0.80 SRC (0.65) SRCL3MBTL1TDP1POLBALDH1A1
SCHEMBL23241864 0.79 SRC (0.70) SRCL3MBTL1TDP1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7348315-B2 Methods of treating heart failure with modified ATP, ADP and AMP compounds THE UNIVERSITY OF CONNECTICUT (US) 2008-03-25 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070149673-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE STURGILL JEFFREY A 2007-06-28 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
US-20030186929-A1 Methods of treating heart failure with modified ATP, ADP and AMP compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-02 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-6255292-B1 INCREASING CELLULAR CONTRACTIONS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-07-03 US disclosed
WO-1996029345-A1 NOVEL INOTROPIC AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-26 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 (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-20030186929-A1 Methods of treating heart failure with modified ATP, ADP and AMP compounds ATP5MF, ATP5MG, ATP2A1 SRC 4731/4885L3MBTL1 3329/4885TDP1 2182/4885

“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.