SCHEMBL4304568

SCHEMBL4304568

CCNc1cc2c(cc1C)C(c1cc(C(=O)O)ccc1C(=O)O)c1cc(C)c(NCC)cc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PLEC Q15149 1/20 0.46
HCAR3 P49019 2/20 0.40
CYP2C9 P11712 1/20 0.36
MYC P01106 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32

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
SCHEMBL1263804 0.81 CYP2C9 (0.38) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL15133691 0.74 CYP2C9 (0.39) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL30149854 0.74 HSD17B10 (0.46) KDM4EALDH1A1CYP2C9TSHRLMNA
Hydrochloric Acid SCHEMBL16295798 0.73 HSD17B10 (0.45) KDM4EALDH1A1CYP2C9TSHRLMNA
Hydrochloric Acid SCHEMBL32679705 0.73 HSD17B10 (0.45) KDM4EALDH1A1CYP2C9TSHRLMNA
SCHEMBL13073785 0.71 KDM4E (0.63) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL17938290 0.71 ALDH1A1 (0.63) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL12560148 0.71 CYP2C9 (0.41) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL16296751 0.70 CYP3A4 (0.33) CYP3A4TSHRRECQLLMNA
SCHEMBL21620383 0.69 CYP2C9 (0.32) HTTCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 KDM4E 4255/4885ALDH1A1 2075/4885GAA 285/4885
US-20030207264-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples DNTT, HMBS, WRN KDM4E 3052/4885ALDH1A1 2193/4885GAA 603/4885
US-20050158766-A1 Homo-doubly labeled compositions for the detection of enzyme activity in biological samples DNTT, WRN, HMBS KDM4E 3000/4885ALDH1A1 2249/4885GAA 606/4885

“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.