SCHEMBL31550

SCHEMBL31550

CCCc1ccc(CC(=O)N(CC(=O)O)Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CNR2 P34972 3/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
REN P00797 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AGTR1 P30556 1/20 0.41

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
SCHEMBL15062695 0.84 CYP4F2 (0.46) ALDH1A1HPGDHSD17B10CNR2POLB
SCHEMBL14701531 0.78 TRPM8 (0.50) ALDH1A1HPGDCNR2POLBAGTR1
SCHEMBL31453 0.75 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13191459 0.74 POLB (0.57) CNR2POLBAPEX1TDP1REN
Hydrochloric Acid SCHEMBL2533472 0.74 ALDH1A1 (0.74) ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL31296669 0.73 LMNA (0.51) ALDH1A1CNR2POLBAPEX1TDP1
SCHEMBL2721394 0.72 REN (0.69) ALDH1A1CNR2POLBAPEX1TDP1
SCHEMBL3456186 0.71 LMNA (0.68) ALDH1A1HSD17B10CNR2REN
SCHEMBL13494187 0.71 CNR2 (0.62) ALDH1A1HPGDHSD17B10CNR2POLB
SCHEMBL14855262 0.71 ALOX5 (0.51) ALDH1A1HPGDHSD17B10POLB

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-8809012-B2 Labeling agent and methods for simultaneous sequencing and quantification of multiple peptides and proteins using the same Postach Academy-Industry Foundation (KR) 2014-08-19 US claimed
US-20130183704-A1 Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-07-18 US claimed
EP-2610243-A2 LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS Postech Academy-industry Foundation (KR) 2013-07-03 EP claimed
US-8809012-B2 Labeling agent and methods for simultaneous sequencing and quantification of multiple peptides and proteins using the same Postach Academy-Industry Foundation (KR) 2014-08-19 US disclosed
US-8809012-B2 Labeling agent and methods for simultaneous sequencing and quantification of multiple peptides and proteins using the same Postach Academy-Industry Foundation (KR) 2014-08-19 US disclosed
US-20130183704-A1 Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-07-18 US disclosed
US-20130183704-A1 Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2013-07-18 US disclosed
EP-2610243-A2 LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS Postech Academy-industry Foundation (KR) 2013-07-03 EP disclosed
EP-2610243-A2 LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS Postech Academy-industry Foundation (KR) 2013-07-03 EP disclosed
WO-2012026743-A2 LABELING AGENT AND AMINO ACID SEQUENCE USING SAME, AND METHOD FOR PERFORMING SIMULTANEOUS QUANTITATIVE ANALYSIS OF MULTIPLE PROTEINS 포항공과대학교 산학협력단 (KR) 2012-03-01 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-20130183704-A1 Labeling Agent and Methods for Simultaneous Sequencing and Quantification of Multiple Peptides and Proteins Using the Same YWHAQ, IAPP, RPS27A ALDH1A1 4806/4885HPGD 3718/4885HSD17B10 4715/4885

“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.