SCHEMBL5406792

SCHEMBL5406792

CCCCCCCCCCC(O)CN(CCCN(C)C)CCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
GPR84 Q9NQS5 5/20 0.42
PLA2G1B P04054 3/20 0.42
PLA2G2A P14555 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSMD14 O00487 2/20 0.37
MMP2 P08253 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL5412524 1.00 DNM1 (0.48) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL5412471 1.00 DNM1 (0.48) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL5406861 1.00 DNM1 (0.48) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL5414617 1.00 DNM1 (0.48) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL5408876 1.00 DNM1 (0.48) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL24844337 0.98 DNM1 (0.52) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL19677889 0.96 DNM1 (0.48) DNM1GPR84PLA2G1BPLA2G2AFFAR4
SCHEMBL5423731 0.93 DNM1 (0.41) DNM1GPR84PLA2G1BPLA2G2AL3MBTL1
SCHEMBL11611967 0.89 GPR84 (0.47) GPR84PLA2G1BPLA2G2AFFAR4FFAR1
SCHEMBL3540872 0.89 GPR84 (0.47) GPR84PLA2G1BPLA2G2AFFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169823-B2 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-01-30 US claimed
US-7026512-B2 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-11 US claimed
US-6998508-B2 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-02-14 US claimed
US-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups EVONIK DEGUSSA GMBH (DE) 2004-09-16 US claimed
US-20040180977-A1 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids EVONIK DEGUSSA GMBH (DE) 2004-09-16 US claimed
US-20040181077-A1 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. 2004-09-16 US claimed
EP-1457507-A2 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-09-15 EP claimed
EP-1457480-A1 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-09-15 EP claimed
US-6747069-B1 PREPARING A POLYURETHANE FOAM WHICH COMPRISES REACTING AN ORGANIC POLYISOCYANATE AND A POLYOL IN THE PRESENCE OF WATER AS A BLOWING AGENT, A CELL STABILIZER, AND A TERTIARY AMINE AMIDE CATALYST COMPOSITION AIR PRODUCTS AND CHEMICALS, INC. 2004-06-08 US claimed
US-7169823-B2 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-01-30 US disclosed
US-7026512-B2 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-11 US disclosed
US-6998508-B2 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-02-14 US disclosed
US-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups EVONIK DEGUSSA GMBH (DE) 2004-09-16 US disclosed
US-20040181077-A1 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. 2004-09-16 US disclosed
US-20040180977-A1 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids EVONIK DEGUSSA GMBH (DE) 2004-09-16 US disclosed
EP-1457507-A2 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-09-15 EP disclosed
EP-1457480-A1 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-09-15 EP disclosed
US-6747069-B1 PREPARING A POLYURETHANE FOAM WHICH COMPRISES REACTING AN ORGANIC POLYISOCYANATE AND A POLYOL IN THE PRESENCE OF WATER AS A BLOWING AGENT, A CELL STABILIZER, AND A TERTIARY AMINE AMIDE CATALYST COMPOSITION AIR PRODUCTS AND CHEMICALS, INC. 2004-06-08 US 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 (2 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-20040181077-A1 Tertiary alkanolamines containing surface active alkyl groups ADRA1A, ADH1A, TAAR1 DNM1 1728/4885GPR84 81/4885PLA2G1B 726/4885
US-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups ADRA1A, ADH1A, ALKBH3 DNM1 1538/4885GPR84 356/4885PLA2G1B 703/4885

“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.