SCHEMBL4602111

SCHEMBL4602111

CCCCCCCCCCCCC(O)CNCCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.45
PAOX Q6QHF9 1/20 0.40
GPR84 Q9NQS5 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
PSMD14 O00487 2/20 0.38
PLA2G1B P04054 2/20 0.38
MMP2 P08253 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
RAD52 P43351 1/20 0.38
FAAH O00519 1/20 0.36

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
SCHEMBL4602116 1.00 DNM1 (0.45) DNM1PAOXGPR84TDP1FFAR4
SCHEMBL4600963 1.00 DNM1 (0.45) DNM1PAOXGPR84TDP1FFAR4
SCHEMBL4602473 1.00 DNM1 (0.45) DNM1PAOXGPR84TDP1FFAR4
SCHEMBL4602087 1.00 DNM1 (0.45) DNM1PAOXGPR84TDP1FFAR4
SCHEMBL4601959 1.00 DNM1 (0.45) DNM1PAOXGPR84TDP1FFAR4
SCHEMBL4601071 0.93 TDP1 (0.41) DNM1PAOXTDP1ANPEPERAP2
SCHEMBL16500393 0.89 KDM5A (0.41) GPR84FFAR4FFAR1PSMD14PLA2G1B
SCHEMBL13829037 0.87 GPR84 (0.40) PAOXGPR84FFAR4FFAR1PSMD14
SCHEMBL12515903 0.87 GPR84 (0.40) PAOXGPR84FFAR4FFAR1PSMD14
SCHEMBL12515783 0.87 GPR84 (0.40) PAOXGPR84FFAR4FFAR1PSMD14

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384901-C Tertiary alkanolamine polyether catalyst derived from long chain alkyl and fatty carboxylic acids AIR PROD & CHEM (US) 2008-04-30 CN claimed
EP-1457507-B1 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PROD & CHEM (US) 2008-04-23 EP 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 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
CN-1530380-A Tertiary alkanolamine polyether catalyst derived from long chain alkyl and fatty carboxylic acids �����Ʒ�뻯ѧ��˾ 2004-09-22 CN claimed
CN-1530359-A Tertiary alkanolamine containing tensioactive alkyl group 气体产品与化学公司 2004-09-22 CN claimed
US-20040181077-A1 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. 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-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups EVONIK DEGUSSA GMBH (DE) 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
CN-100384901-C Tertiary alkanolamine polyether catalyst derived from long chain alkyl and fatty carboxylic acids AIR PROD & CHEM (US) 2008-04-30 CN disclosed
EP-1457507-B1 Tertiary alkanolamine polyurethane catalysts derived from long chain alkyl and fatty carboxylic acids AIR PROD & CHEM (US) 2008-04-23 EP disclosed
CN-1319936-C Tertiary alkanolamine containing tensioactive alkyl group AIR PROD & CHEM (US) 2007-06-06 CN disclosed
US-20040181077-A1 Tertiary alkanolamines containing surface active alkyl groups AIR PRODUCTS AND CHEMICALS, INC. 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 1728/4885PAOX 240/4885GPR84 81/4885
US-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups ADRA1A, ADH1A, ALKBH3 DNM1 1538/4885PAOX 352/4885GPR84 356/4885

“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.