SCHEMBL1263804

SCHEMBL1263804

CCNc1cc2c(cc1C)C(c1c(C(=O)O)cccc1C(=O)O)c1cc(C)c(NCC)cc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
GFER P55789 1/20 0.36
PLEC Q15149 1/20 0.36
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
FABP4 P15090 2/20 0.36
RECQL P46063 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 3/20 0.34
HIF1A Q16665 2/20 0.34
ALOX12 P18054 2/20 0.34

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
SCHEMBL4304568 0.81 KDM4E (0.46) CYP2C9ALDH1A1HPGDKDM4EHTT
SCHEMBL30149854 0.78 HSD17B10 (0.46) CYP2C9ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL15133691 0.78 CYP2C9 (0.39) CYP2C9ALDH1A1HPGDKDM4EHTT
Hydrochloric Acid SCHEMBL16295798 0.77 HSD17B10 (0.45) CYP2C9ALDH1A1KDM4ECYP1A2CYP2C19
Hydrochloric Acid SCHEMBL32679705 0.77 HSD17B10 (0.45) CYP2C9ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL16296751 0.71 CYP3A4 (0.33) CYP3A4RECQLTSHRLMNA
Hydrochloric Acid SCHEMBL12492236 0.71 CYP2C9 (0.33) CYP2C9ALDH1A1HPGDKDM4EHTT
SCHEMBL25266487 0.67 MYC (0.34) CYP2C9ALDH1A1HPGDKDM4EHTT
SCHEMBL13073788 0.67 NPC1 (0.53) CYP2C9ALDH1A1HPGDKDM4EMAPT
SCHEMBL25207239 0.66 MYC (0.35) CYP2C9ALDH1A1HPGDKDM4EHTT

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-7879574-B2 Folded peptide backbone each end of which is conjugated to a fluorophore, which when cleaved as by digestion with a protease, the fluorophores provide high intensity signals; histology ONCOIMMUNIN, INC. (US) 2011-02-01 US disclosed
US-20090325168-A1 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN, INC. (US) 2009-12-31 US disclosed
US-7541143-B2 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOIMMUNIN, INC. (US) 2009-06-02 US disclosed
US-20080199898-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2008-08-21 US disclosed
US-7312302-B2 Compositions for the detection of enzyme activity in biological samples and methods of use thereof ONCOLMMUNIN, INC. (US) 2007-12-25 US disclosed
EP-1214445-A4 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN INC (US) 2007-01-24 EP disclosed
US-6936687-B1 Compositions for the detection of enzyme activity in biological samples and methods of use thereof ONCO IMMUNIN, INC. (US) 2005-08-30 US disclosed
US-20050158766-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOLMMUNIN, INC. 2005-07-21 US disclosed
US-6893868-B2 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCO IMMUNIN, INC. (US) 2005-05-17 US disclosed
US-20040096926-A1 Compositions for the detection of enzyme activity in biological samples and methods of use thereof ONCOIMMUNIN, INC. 2004-05-20 US disclosed
US-20030207264-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples ONCOLMMUNIN, INC. 2003-11-06 US disclosed
EP-1356084-A2 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN, INC. (US) 2003-10-29 EP disclosed
EP-0988394-A4 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN INC (US) 2003-04-23 EP disclosed
WO-2002061038-A9 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN INC (US) 2002-11-28 WO disclosed
WO-2002061038-A2 HOMO-DOUBLY LABELED COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES ONCOIMMUNIN, INC. (US) 2002-08-08 WO disclosed
EP-1214445-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2002-06-19 EP disclosed
WO-2001018238-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2001-03-15 WO disclosed
EP-0988394-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 2000-03-29 EP disclosed
WO-1998037226-A1 COMPOSITIONS FOR THE DETECTION OF ENZYME ACTIVITY IN BIOLOGICAL SAMPLES AND METHODS OF USE THEREOF ONCOIMMUNIN, INC. (US) 1998-08-27 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 (3 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-20040096926-A1 Compositions for the detection of enzyme activity in biological samples and methods of use thereof PRSS3, PREP, CTRL CYP2C9 2744/4885ALDH1A1 2075/4885HPGD 1436/4885
US-20030207264-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples DNTT, HMBS, WRN CYP2C9 1452/4885ALDH1A1 2193/4885HPGD 272/4885
US-20050158766-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples DNTT, WRN, HMBS CYP2C9 1205/4885ALDH1A1 2249/4885HPGD 315/4885

“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.