SCHEMBL4601071

SCHEMBL4601071

CCCCC(O)CNCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 5/20 0.40
PAOX Q6QHF9 1/20 0.39
DPP7 Q9UHL4 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4602473 0.93 DNM1 (0.45) TDP1DNM1PAOXANPEPERAP2
SCHEMBL4601959 0.93 DNM1 (0.45) TDP1DNM1PAOXANPEPERAP2
SCHEMBL4600963 0.93 DNM1 (0.45) TDP1DNM1PAOXANPEPERAP2
SCHEMBL4602116 0.93 DNM1 (0.45) TDP1DNM1PAOXANPEPERAP2
SCHEMBL4602111 0.93 DNM1 (0.45) TDP1DNM1PAOXANPEPERAP2
SCHEMBL4602087 0.93 DNM1 (0.45) TDP1DNM1PAOXANPEPERAP2
SCHEMBL965742 0.85 TSHR (0.44) DPP7ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL8482760 0.85 TDP1 (0.50) TDP1DNM1PAOXDPP7ALDH1A1
SCHEMBL19921562 0.83 TSHR (0.50) DPP7ALDH1A1TSHRCYP3A4ANPEP
Hydrochloric Acid SCHEMBL8479284 0.83 TDP1 (0.48) TDP1DNM1PAOXDPP7ALDH1A1

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-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
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
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-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups 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 TDP1 395/4885DNM1 1728/4885PAOX 240/4885
US-20040180979-A1 Tertiary alkanolamines containing surface active alkyl groups ADRA1A, ADH1A, ALKBH3 TDP1 113/4885DNM1 1538/4885PAOX 352/4885

“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.