SCHEMBL2503499

SCHEMBL2503499

CCOC(=O)CCCN(CC)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.50
CDYL Q9Y232 1/20 0.47
CNR1 P21554 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TOP2A P11388 1/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ELANE P08246 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL28665756 0.81 CYP4F2 (0.47) TNFCDYLCNR1SMN1; SMN2ALOX5
SCHEMBL2498213 0.78 SMN1; SMN2 (0.60) SMN1; SMN2ALOX5CYP1A2CYP3A4CYP2D6
SCHEMBL6568722 0.77 SIGMAR1 (0.50) KDM4EELANEALDH1A1SIGMAR1HPGD
SCHEMBL11294522 0.77 CFTR (0.44) TNFCDYLCNR1SMN1; SMN2ALOX5
SCHEMBL8966581 0.75 SIGMAR1 (0.56) KDM4EALDH1A1SIGMAR1HPGDLMNA
SCHEMBL2784683 0.75 FFAR1 (0.47) SMN1; SMN2ALOX5CYP1A2CYP2D6CYP2C19
SCHEMBL2762361 0.75 SMN1; SMN2 (0.63) SMN1; SMN2ALOX5CYP1A2CYP3A4CYP2D6
SCHEMBL4802013 0.75 SIGMAR1 (0.48) KDM4EELANEALDH1A1SIGMAR1HPGD
SCHEMBL11439442 0.75 ALDH1A1 (0.46) CDYLKDM4EALDH1A1SIGMAR1HPGD
SCHEMBL11675059 0.74 LMNA (0.50) CDYLSMN1; SMN2CYP2D6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637658-B2 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC (US) 2014-01-28 US disclosed
US-8637658-B2 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC (US) 2014-01-28 US disclosed
US-8637658-B2 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC (US) 2014-01-28 US disclosed
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2013-05-16 US disclosed
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2013-05-16 US disclosed
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2013-05-16 US disclosed
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2012-08-30 US disclosed
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2012-08-30 US disclosed
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2012-08-30 US disclosed
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2011-10-06 US disclosed
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2011-10-06 US disclosed
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2011-10-06 US disclosed
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS APPLERA CORPORATION (US) 2009-04-23 US disclosed
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS APPLERA CORPORATION (US) 2009-04-23 US disclosed
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS APPLERA CORPORATION (US) 2009-04-23 US disclosed
US-20050164225-A1 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC 2005-07-28 US disclosed
US-20040005607-A1 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC 2004-01-08 US disclosed
US-20030082547-A1 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC 2003-05-01 US disclosed
WO-2003019145-A2 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS APPLERA CORPORATION (US) 2003-03-06 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 (7 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-20050164225-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 TNF 4764/4885CDYL 1076/4885CNR1 1794/4885
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 TNF 4775/4885CDYL 1113/4885CNR1 1986/4885
US-20030082547-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 TNF 4781/4885CDYL 1435/4885CNR1 1478/4885
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS DNTT, PNP, NT5C2 TNF 4775/4885CDYL 1113/4885CNR1 1986/4885
US-20040005607-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 TNF 4781/4885CDYL 1435/4885CNR1 1478/4885
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 TNF 4775/4885CDYL 1113/4885CNR1 1986/4885
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 TNF 4775/4885CDYL 1113/4885CNR1 1986/4885

“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.