SCHEMBL663133

SCHEMBL663133

CCN=C(c1ccccc1)N(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL25795526 0.84 KMT2A (0.44) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL12604508 0.84 KMT2A (0.44) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL673966 0.84 KMT2A (0.44) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL11671625 0.82 ATM (0.41) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL11350774 0.82 ATM (0.41) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL14344759 0.82 ATM (0.41) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL673023 0.82 POLB (0.50) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL3078037 0.81 ATM (0.39) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL3078036 0.81 ATM (0.39) ATMKMT2APOLBALDH1A1HPGD
SCHEMBL19526944 0.77 KMT2A (0.38) ATMKMT2APOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846851-B2 Methods of ring opening polymerization and catalysts therefor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-30 US claimed
US-20130158226-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-20 US claimed
US-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-23 US claimed
US-8846851-B2 Methods of ring opening polymerization and catalysts therefor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-30 US disclosed
US-8541477-B2 Methods of depolymerizing terephthalate polyesters INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-09-24 US disclosed
US-8507640-B2 Methods of ring opening polymerization and catalysts therefor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-13 US disclosed
US-20130158226-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-20 US disclosed
WO-2012121985-A2 METHODS OF DEPOLYMERIZING TEREPHTHALATE POLYESTERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-13 WO disclosed
US-20120223270-A1 METHODS OF DEPOLYMERIZING TEREPHTHALATE POLYESTERS KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2012-09-06 US disclosed
US-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-23 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-20120223270-A1 METHODS OF DEPOLYMERIZING TEREPHTHALATE POLYESTERS DDT, TRHDE, TERT ATM 3056/4885KMT2A 2915/4885POLB 869/4885
US-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR OGFOD1, PCNA, ODC1 ATM 4056/4885KMT2A 3440/4885POLB 153/4885

“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.