SCHEMBL3680852

SCHEMBL3680852

CC(CCCCCCCCCN)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.67
LTA4H P09960 1/20 0.57
GSR P00390 1/20 0.56
RNPEP Q9H4A4 1/20 0.54
CPB2 Q96IY4 4/20 0.53
ACE2 Q9BYF1 1/20 0.53
BLM P54132 1/20 0.52
CYP1A2 P05177 1/20 0.48
TBXAS1 P24557 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLG P00747 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC6A2 P23975 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
PAOX Q6QHF9 1/20 0.43

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
SCHEMBL10869353 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL1882487 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL1888370 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL1881586 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL1872640 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL4017002 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL4020912 1.00 GABRR1 (0.67) GABRR1LTA4HGSRRNPEPCPB2
Hydrochloric Acid SCHEMBL7667351 0.98 GABRR1 (0.64) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL39271 0.98 GABRR1 (0.70) GABRR1LTA4HGSRRNPEPCPB2
SCHEMBL17974330 0.98 GABRR1 (0.70) GABRR1LTA4HGSRRNPEPCPB2

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
US-10329242-B2 Process for purifying long chain amino acids VITAWORKS IP, LLC (US) 2019-06-25 US claimed
EP-1501784-B1 INTEGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-13 EP disclosed
US-7745652-B2 Integrated chemical processes for industrial utilization of seed oils DOW GLOBAL TECHNOLOGIES INC. (US) 2010-06-29 US disclosed
US-7576227-B2 Integrate chemical processes for industrial utilization of seed oils UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2009-08-18 US disclosed
US-20090143544-A1 INTEGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-06-04 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
US-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2005-07-14 US disclosed
EP-1501784-A1 INTERGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-02-02 EP disclosed
WO-2003093215-A1 INTERGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-11-13 WO disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
EP-0186083-A2 N-(2-Hyxdroxyalkyl)-amino acids and their derivatives, process for their preparation and pharmaceutical compositions containing them ASTA Pharma AG (DE) 1986-07-02 EP 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-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils ALOX12, SQLE, ALOX15 GABRR1 2396/4885LTA4H 455/4885GSR 974/4885
US-10329242-B2 Process for purifying long chain amino acids BCAT1, SLC43A1, BCAT2 GABRR1 470/4885LTA4H 3866/4885GSR 3700/4885
US-20090143544-A1 INTEGRATED CHEMICAL PROCESSES FOR INDUSTRIAL UTILIZATION OF SEED OILS ALOX12, SQLE, ALOX15 GABRR1 2682/4885LTA4H 554/4885GSR 986/4885

“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.