SCHEMBL3172331

SCHEMBL3172331

CC(=O)C1(O)C=Nc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
THRB P10828 2/20 0.33
ALOX12 P18054 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 2/20 0.31
PDK2 Q15119 2/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL28263225 0.85 THRB (0.35) ALDH1A1THRBTDP1ADORA3
SCHEMBL28754777 0.74 ALDH1A1 (0.35) ALDH1A1THRBALOX12TDP1APAF1
SCHEMBL28486941 0.74 IDO1 (0.37) ALDH1A1THRBALOX12TDP1APAF1
SCHEMBL5486167 0.72 HTR5A (0.33) TDP1L3MBTL1PDK2ADORA3
SCHEMBL5851114 0.71 ADORA3 (0.35) ALDH1A1THRBTDP1PDK2ADORA3
SCHEMBL24495475 0.70 TDP1 (0.37) ALDH1A1THRBTDP1POLBMAPT
SCHEMBL27904709 0.70 CHRM2 (0.39) ALDH1A1TDP1MAPTADORA3MEN1
SCHEMBL28301722 0.69 THRB (0.39) ALDH1A1THRBTDP1L3MBTL1
SCHEMBL28438443 0.69 NOTUM (0.31) ALDH1A1NOTUM
SCHEMBL14575103 0.68 ADORA3 (0.33) PDK2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525456-B1 METHOD AND APPARATUS FOR MEASURING WHITE BLOOD CELL COUNT PORTASCIENCE INC (US) 2010-03-31 EP disclosed
US-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US disclosed
EP-1525456-A4 METHOD AND APPARATUS FOR MEASURING WHITE BLOOD CELL COUNT PORTASCIENCE INC (US) 2006-07-26 EP disclosed
US-20060088941-A1 Method and apparatus for measuring white blood cell count PORTASCIENCE INC (US) 2006-04-27 US disclosed
EP-1436411-B1 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2005-12-14 EP disclosed
US-20050124556-A1 Chromogenic enzyme substrates BURTON MICHAEL (GB) 2005-06-09 US disclosed
EP-1525456-A1 METHOD AND APPARATUS FOR MEASURING WHITE BLOOD CELL COUNT Portascience Inc. (US) 2005-04-27 EP disclosed
EP-1436411-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY Burton, Michael (GB) 2004-07-14 EP disclosed
US-6709868-B2 WASHING TO REMOVE RED BLOOD CELLS, READING COLOR REACTION OF ESTER PRESENT ON WHITE BLOOD CELLS CLEAVING CHROMOGENIC SUBSTRATE AND PRODUCING WATER INSOLUBLE DYE PORTASCIENCE INC. 2004-03-23 US disclosed
WO-2003100402-A1 METHOD AND APPARATUS FOR MEASURING WHITE BLOOD CELL COUNT PORTASCIENCE INC. (US) 2003-12-04 WO disclosed
US-20030215951-A1 Method and apparatus for measuring white blood cell count OXFORD FINANCE LLC, AS AGENT 2003-11-20 US disclosed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 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-20050124556-A1 Chromogenic enzyme substrates DCXR, MGAM, IDE ALDH1A1 943/4885THRB 2075/4885ALOX12 2784/4885

“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.