Ethylenediamine

Ethylenediamine

SCHEMBL731207

Cc1ccc(C(C(=O)O)c2ccc(C)cc2O)c(O)c1.NCCN

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Ethylenediamine. 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
TRPA1 O75762 2/20 0.50
CHRM1 P11229 2/20 0.50
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
SRC P12931 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CSNK2A1 P68400 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL14360428 0.91 TRPA1 (0.59) TRPA1CHRM1LMNASLC6A2ADRA1A
Ethylenediamine SCHEMBL14353963 0.80 KDM4E (0.48) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL9294948 0.77 TRPA1 (0.55) TRPA1CHRM1LMNASLC6A2ADRA1A
SCHEMBL2799841 0.77 ALDH1A1 (0.44) TRPA1CHRM1LMNASLC6A2ADRA1A
Thymol SCHEMBL11578070 0.77 LMNA (0.70) TRPA1CHRM1LMNASLC6A2ADRA1A
Ethylenediamine SCHEMBL14354263 0.77 GRM1 (0.41) SRCMEN1KMT2ANPSR1TDP1
Hydrochloric Acid SCHEMBL1774596 0.76 TRPA1 (0.42) TRPA1CHRM1LMNASLC6A2ADRA1A
Ethylenediamine SCHEMBL544736 0.75 TSHR (0.42) ALDH1A1MEN1KMT2AHPGDHRH1
SCHEMBL11529752 0.75 LMNA (0.57) TRPA1CHRM1LMNASLC6A2ADRA1A
SCHEMBL28238190 0.75 TRPA1 (0.62) TRPA1CHRM1LMNASLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191431-B1 MICRONUTRIENT FERTILIZER SUN CHEMICAL CORP (US) 2023-03-08 EP claimed
US-20170283334-A1 MICRONUTRIENT FERTILIZER SUN CHEMICAL CORPORATION (US) 2017-10-05 US claimed
EP-3191431-B1 MICRONUTRIENT FERTILIZER SUN CHEMICAL CORP (US) 2023-03-08 EP disclosed
US-10974059-B2 Treatment of cancer or tumors induced by the release of heat generated by various chains of magnetosomes extracted from magnetotactic bacteria and submitted to an alternating magnetic field NANOBACTERIE (FR) 2021-04-13 US disclosed
US-10407353-B2 Micronutrient fertilizer SUN CHEMICAL CORPORATION (US) 2019-09-10 US disclosed
US-20190201704-A1 TREATMENT OF CANCER OR TUMORS INDUCED BY THE RELEASE OF HEAT GENERATED BY VARIOUS CHAINS OF MAGNETOSOMES EXTRACTED FROM MAGNETOTACTIC BACTERIA AND SUBMITTED TO AN ALTERNATING MAGNETIC FIELD NANOBACTERIE (FR) 2019-07-04 US disclosed
US-10252073-B2 Treatment of cancer or tumor induced by the release of heat generated by various chains of magnetosomes extracted from magnetotactic bacteria and submitted to an alternating magnetic field NANOBACTERIE (FR) 2019-04-09 US disclosed
US-10238886-B2 Treatment of cancer or tumors induced by the release of heat generated by various chains of magnetosomes extracted from magnetotactic bacteria and submitted to an alternating magnetic field NANOBACTERIE (FR) 2019-03-26 US disclosed
US-20170283334-A1 MICRONUTRIENT FERTILIZER SUN CHEMICAL CORPORATION (US) 2017-10-05 US disclosed
US-20170157253-A1 TREATMENT OF CANCER OR TUMOR INDUCED BY THE RELEASE OF HEAT GENERATED BY VARIOUS CHAINS OF MAGNETOSOMES EXTRACTED FROM MAGNETOTACTIC BACTERIA AND SUBMITTED TO AN ALTERNATING MAGNETIC FIELD ALPHAONCO (FR) 2017-06-08 US disclosed
US-9403731-B2 Modified aminocarboxylates with improved storage stability and processability BASF SE (DE) 2016-08-02 US disclosed
EP-2370085-A1 TREATMENT OF CANCER OR TUMOR INDUCED BY THE RELEASE OF HEAT GENERATED BY VARIOUS CHAINS OF MAGNETOSOMES EXTRACTED FROM MAGNETOTACTIC BACTERIA AND SUBMITTED TO AN ALTERNATIVE MAGNETIC FIELD Nanobacterie (FR) 2011-10-05 EP disclosed
WO-2011061259-A1 TREATMENT OF CANCER OR TUMOR INDUCED BY THE RELEASE OF HEAT GENERATED BY VARIOUS CHAINS OF MAGNETOSOMES EXTRACTED FROM MAGNETOTACTIC BACTERIA AND SUBMITTED TO AN ALTERNATIVE MAGNETIC FIELD NANOBACTERIE (FR) 2011-05-26 WO disclosed
US-20100313620-A1 CALCIUM FORMIATE FERTILISER LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 US disclosed
US-20100183741-A1 DERMATOLOGICAL COMPOSITIONS COMPRISING AT LEAST ONE RETINOID COMPOUND, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-22 US disclosed
US-20100160439-A1 DERMATOLOGICAL COMPOSITIONS COMPRISING AT LEAST ONE RETINOID COMPOUND, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-24 US disclosed
EP-2167063-A1 COMPOSITION AND USES OF A RETINOID, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE, IN ACNE Galderma Research & Development (FR) 2010-03-31 EP disclosed
EP-2167062-A1 COMPOSITIONS AND USES COMPRISING A RETINOID COMPOUND, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE IN ACNE Galderma Research & Development (FR) 2010-03-31 EP disclosed
WO-2008152064-A1 COMPOSITIONS AND USES COMPRISING A RETINOID COMPOUND, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE IN ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO disclosed
WO-2008152065-A1 COMPOSITION AND USES OF A RETINOID, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE, IN ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO 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-20100183741-A1 DERMATOLOGICAL COMPOSITIONS COMPRISING AT LEAST ONE RETINOID COMPOUND, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE RARB, RARA, RARG TRPA1 567/4885CHRM1 1881/4885LMNA 4303/4885
US-20100160439-A1 DERMATOLOGICAL COMPOSITIONS COMPRISING AT LEAST ONE RETINOID COMPOUND, AN ANTI-IRRITANT COMPOUND AND BENZOYL PEROXIDE RARB, RARA, RARG TRPA1 1674/4885CHRM1 2348/4885LMNA 4219/4885

“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.