SCHEMBL3411565

SCHEMBL3411565

COC(=O)CCCOc1ccc(CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.54
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL10202996 0.87 LMNA (0.59) LTA4HMAPTLMNAALDH1A1HTT
SCHEMBL3415156 0.85 LTA4H (0.53) LTA4HMAPTLMNAALDH1A1HTT
SCHEMBL4838190 0.85 LTA4H (0.53) LTA4HMAPTLMNAALDH1A1HTT
SCHEMBL14162906 0.84 ALDH1A1 (0.60) LTA4HLMNAALDH1A1KMT2AKDM4E
SCHEMBL1491617 0.84 PLA2G4B (0.56) LTA4HLMNAALDH1A1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL25376075 0.84 LTA4H (0.52) LTA4HMAPTLMNAALDH1A1HTT
SCHEMBL10915135 0.84 LTA4H (0.52) LTA4HMAPTLMNAALDH1A1HTT
SCHEMBL2886166 0.84 LTA4H (0.57) LTA4HMAPTSMN1; SMN2
SCHEMBL2493222 0.83 MAPT (0.47) LTA4HMAPTLMNAALDH1A1HTT
SCHEMBL6765132 0.83 LTA4H (0.53) LTA4HMAPTLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 WO disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF LTA4H 230/4885MAPT 1476/4885LMNA 3234/4885

“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.