Diethylamine

Diethylamine

SCHEMBL3323938

CCNCC.O=C(O)c1ccccc1C(=O)c1ccccc1O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
HMGB1 P09429 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP3A4 P08684 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50

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
Salicylic Acid SCHEMBL1070298 0.90 KDM4E (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
Salicylic Acid SCHEMBL7620792 0.86 KDM4E (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
Dimethylamine SCHEMBL6883348 0.86 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
Methyl Alcohol SCHEMBL8606279 0.86 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
Phthalic Acid SCHEMBL5875380 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
Phthalic Acid SCHEMBL4372897 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL1334176 0.86 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL6882868 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
Diethylamine SCHEMBL16335615 0.84 LMNA (0.64) ALDH1A1KDM4EHPGDKMT2ACA1
SCHEMBL11665831 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993838-A Method for producing diethylamino hydroxybenzoyl hexyl benzoate AS科技有限公司 2022-01-28 CN claimed
CN-102448295-A Method for combating harmful fungi BASF SE 2012-05-09 CN claimed
EP-1506159-B1 METHOD FOR PRODUCING 2-(4-N, N-DIALKYLAMINO-2-HYDROXYBENZOYL)BENZOATES BASF AG (DE) 2007-09-19 EP claimed
US-20050165099-A1 Method for producing 2-(4-n,n-dialkylamino-2-hydroxybenzol)benzoates BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 US claimed
EP-0853078-B1 Purification process of keto acids CIBA SC HOLDING AG (CH) 2000-08-16 EP claimed
JP-58173160-A None JP disclosed
JP-6049008-A None JP disclosed
CN-113993838-A Method for producing diethylamino hydroxybenzoyl hexyl benzoate AS科技有限公司 2022-01-28 CN disclosed
WO-2021071033-A1 METHOD FOR PREPARING DIETHYLAMINO HYDROXYBENZOYL HEXYL BENZOATE (주)에이에스텍 2021-04-15 WO disclosed
US-9550727-B2 Method for the crystallization of 2-(4-N,N-diethyl amino-2-hydroxy-benzoyl)-benzoic acid-n-hexyl ester BASF SE (DE) 2017-01-24 US disclosed
CN-102448295-B The method of control harmful fungoid BASF SE (DE) 2015-11-25 CN disclosed
US-20140349115-A1 Method for the crystallization of 2-(4-N,N-diethyl Amino-2-hydroxy-benzoyl)-benzoic acid-n-hexyl ester BASF SE (DE) 2014-11-27 US disclosed
WO-2000051967-A1 OXYALKYLENE-SUBSTITUTED AMINOPHENOL INTERMEDIATE MILLIKEN & COMPANY (US) 2000-09-08 WO disclosed
US-6040482-A Oxyalkylene-substituted aminophenol intermediate MILLIKEN & COMPANY (US) 2000-03-21 US disclosed
EP-0511019-B1 Method of producing keto acids MITSUI CHEMICALS INC (JP) 1999-06-23 EP disclosed
EP-0858993-A1 Method of producing keto acids Mitsui Chemicals, Inc. (JP) 1998-08-19 EP disclosed
US-5371285-A Method of producing keto acids MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
JP-H0649008-A PRODUCTION OF KETO-ACID MITSUI PETROCHEM IND LTD 1994-02-22 JP disclosed
EP-0511019-A2 Method of producing keto acids MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP disclosed
JP-S58173160-A NOVEL FLUORAN DERIVATIVE RICOH CO LTD 1983-10-12 JP 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-20050165099-A1 Method for producing 2-(4-n,n-dialkylamino-2-hydroxybenzol)benzoates ADH1C, ADH5, ADH1A ALDH1A1 7/4885KDM4E 1270/4885HPGD 298/4885
US-20140349115-A1 Method for the crystallization of 2-(4-N,N-diethyl Amino-2-hydroxy-benzoyl)-benzoic acid-n-hexyl ester HAO2, HACL2, HAAO ALDH1A1 2950/4885KDM4E 1272/4885HPGD 545/4885

“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.