SCHEMBL7712007

SCHEMBL7712007

CCOC(=O)CCCCN(C)c1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.44
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 3/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CYP4Z1 Q86W10 2/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2A13 Q16696 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL20493705 0.96 KMT2A (0.46) KMT2AALDH1A1ALDH3A1ALDH1A3SMN1; SMN2
SCHEMBL22327642 0.92 CTDSP1 (0.46) KMT2AALDH1A1ALDH3A1ALDH1A3SMN1; SMN2
SCHEMBL9744886 0.88 DNM1 (0.49) KMT2AALDH1A1ALDH3A1ALDH1A3SMN1; SMN2
SCHEMBL8993953 0.84 CYP1A2 (0.45) ALDH1A1SMN1; SMN2LTA4HCYP4F2CYP4A11
SCHEMBL7714031 0.84 SMN1; SMN2 (0.61) KMT2AALDH1A1SMN1; SMN2LTA4HCYP4F2
SCHEMBL8993978 0.83 CYP1A2 (0.44) KMT2AALDH1A1SMN1; SMN2LTA4HCYP4F2
SCHEMBL13645975 0.83 CYP2A6 (0.59) KMT2AALDH1A1ALDH3A1ALDH1A3SMN1; SMN2
SCHEMBL8993951 0.82 SMN1; SMN2 (0.60) KMT2AALDH1A1SMN1; SMN2LTA4HCYP4F2
SCHEMBL14570550 0.82 SMN1; SMN2 (0.51) KMT2AALDH1A1SMN1; SMN2LTA4HCYP4F2
SCHEMBL10892510 0.81 CYP2A6 (0.57) KMT2AALDH1A1ALDH3A1ALDH1A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160231336-A1 IMMUNOASSAYS EMPLOYING NON-PARTICULATE CHEMILUMINESCENT REAGENT SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-08-11 US disclosed
US-9347947-B2 Immunoassays employing non-particulate chemiluminescent reagent SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-05-24 US disclosed
US-9023998-B2 Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing CARNEGIE MELLON UNIVERSITY (US) 2015-05-05 US disclosed
US-9023998-B2 Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing CARNEGIE MELLON UNIVERSITY (US) 2015-05-05 US disclosed
US-9023998-B2 Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing CARNEGIE MELLON UNIVERSITY (US) 2015-05-05 US disclosed
US-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING CARNEGIE MELLON UNIVERSITY 2014-08-28 US disclosed
US-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING CARNEGIE MELLON UNIVERSITY 2014-08-28 US disclosed
US-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING CARNEGIE MELLON UNIVERSITY 2014-08-28 US disclosed
US-20100233725-A1 IMMUNOASSAYS EMPLOYING NON-PARTICULATE CHEMILUMINESCENT REAGENT SIEMENS HEALTHCARE DIAGNOSTICS INC., A CORPORATION OF CALIFORNIA (US) 2010-09-16 US disclosed
US-7635571-B2 photosenstizer generates singlet oxygen which oxidatively cleaves the linker to form a product which can be detected in a sandwich detection assay; kits SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2009-12-22 US disclosed
US-7635571-B2 photosenstizer generates singlet oxygen which oxidatively cleaves the linker to form a product which can be detected in a sandwich detection assay; kits SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2009-12-22 US disclosed
US-7229842-B2 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG GMBH (DE) 2007-06-12 US disclosed
US-7229842-B2 Metal chelate containing compositions for use in chemiluminescent assays DADE BEHRING MARBURG GMBH (DE) 2007-06-12 US disclosed
US-6406667-B1 FLUORESCENT COMPOUNDS FOR CHEMILUMINESCENT COMPOUNDS DADE BEHRING MARBURG GMBH (DE) 2002-06-18 US disclosed
EP-1078265-A1 CHEMILUMINESCENT COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES DADE BEHRING INC. (US) 2001-02-28 EP disclosed
WO-1999042838-A1 CHEMILUMINESCENT COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES DADE BEHRING INC. (US) 1999-08-26 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-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING FUCA1, TYR, HBG2 KMT2A 3543/4885ALDH1A1 1815/4885ALDH3A1 1861/4885

“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.