SCHEMBL2502591

SCHEMBL2502591

CCOC(=O)CCCN(CC)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.52
MTNR1B P49286 9/20 0.52
PPARG P37231 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9349279 0.87 MTNR1A (0.53) MTNR1AMTNR1BPPARGSMN1; SMN2ALOX15
SCHEMBL1252550 0.86 MAPT (0.50) SMN1; SMN2MAPTLMNAHTTALOX15
SCHEMBL2498213 0.83 SMN1; SMN2 (0.60) PPARGSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL12061827 0.82 ALOX5 (0.48) MTNR1BSMN1; SMN2MAPTLMNAHTT
SCHEMBL9832657 0.81 SMN1; SMN2 (0.47) MTNR1AMTNR1BPPARGSMN1; SMN2MAPT
SCHEMBL4275474 0.81 TSHR (0.43) PPARGMAPTLMNAHTTALOX15
SCHEMBL16212493 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL6365445 0.80 MTNR1A (0.54) MTNR1AMTNR1BSMN1; SMN2MAPTLMNA
SCHEMBL19347238 0.80 ALDH1A1 (0.54) MTNR1AMTNR1BSMN1; SMN2MAPTLMNA
SCHEMBL16985197 0.80 TSHR (0.45) PPARGMAPTLMNAHTTHSD17B10

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-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-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-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 MTNR1A 2408/4885MTNR1B 3182/4885PPARG 2036/4885
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 MTNR1A 2311/4885MTNR1B 3159/4885PPARG 2076/4885
US-20030082547-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 MTNR1A 2052/4885MTNR1B 2930/4885PPARG 2233/4885
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS DNTT, PNP, NT5C2 MTNR1A 2311/4885MTNR1B 3159/4885PPARG 2076/4885
US-20040005607-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 MTNR1A 2052/4885MTNR1B 2930/4885PPARG 2233/4885
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 MTNR1A 2311/4885MTNR1B 3159/4885PPARG 2076/4885
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 MTNR1A 2311/4885MTNR1B 3159/4885PPARG 2076/4885

“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.