SCHEMBL1449563

SCHEMBL1449563

NCCc1ccccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.70
FOLH1 Q04609 2/20 0.66
DHODH Q02127 1/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
TAAR1 Q96RJ0 6/20 0.52
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.48
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL31484803 1.00 HMGB1 (0.70) HMGB1FOLH1DHODHALDH1A1ALOX15
Hydrochloric Acid SCHEMBL14247891 0.98 HMGB1 (0.68) HMGB1FOLH1DHODHALDH1A1ALOX15
SCHEMBL9839456 0.88 FOLH1 (0.61) HMGB1FOLH1DHODHALDH1A1ALOX15
SCHEMBL30365583 0.87 FOLH1 (0.76) HMGB1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL70392 0.87 FOLH1 (0.76) HMGB1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL1417089 0.86 FOLH1 (0.59) HMGB1FOLH1DHODHALDH1A1ALOX15
SCHEMBL2777290 0.85 FOLH1 (0.58) HMGB1FOLH1DHODHALDH1A1ALOX15
SCHEMBL731621 0.83 HMGB1 (0.55) HMGB1FOLH1ALDH1A1TAAR1TSHR
SCHEMBL31721455 0.83 FOLH1 (0.66) HMGB1FOLH1DHODHALDH1A1ALOX15
Ethylene SCHEMBL18893737 0.83 FOLH1 (0.70) HMGB1FOLH1ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909044-A Synthesis method of 2- (alkylamino) ethyl benzoate compound 南京爱德程医药科技有限公司 2020-11-10 CN claimed
CN-108976140-A A kind of Preparation Method And Their Intermediate of 2- amino -6- ethyl benzoate 上海医药工业研究院 2018-12-11 CN claimed
US-8299225-B2 Amidite for synthesizing modified nucleic acid and method for synthesizing modified nucleic acid FUJITSU LIMITED (JP) 2012-10-30 US claimed
US-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID FUJITSU LIMITED (JP) 2009-03-05 US claimed
US-20080167459-A1 Amidite for nucleic acid synthesis and nucleic acid synthesizing method FUJITSU LIMITED (JP) 2008-07-10 US claimed
EP-0254009-B1 A PROCESS FOR PURIFYING DINITROANILINE HERBICIDES AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1991-04-17 EP claimed
EP-3478725-B1 MODIFIED CARBOHYDRATES, COMPOSITIONS COMPRISING THE SAME, AND METHODS OF MAKING AND USING THE SAME UNIV WAKE FOREST HEALTH SCIENCES (US) 2022-08-10 EP disclosed
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2021-04-20 US disclosed
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2021-04-20 US disclosed
CN-111909044-A Synthesis method of 2- (alkylamino) ethyl benzoate compound 南京爱德程医药科技有限公司 2020-11-10 CN disclosed
US-10766970-B2 Modified carbohydrates, compositions comprising the same, and methods of making and using the same WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2020-09-08 US disclosed
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed
WO-1994007938-A1 WATER-DISPERSIBLE POLYESTER RESINS AND PROCESS FOR THEIR PREPARATION EASTMAN CHEMICAL COMPANY (US) 1994-04-14 WO disclosed
EP-0254009-B1 A PROCESS FOR PURIFYING DINITROANILINE HERBICIDES AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1991-04-17 EP disclosed
US-4970343-A CONTACTING IN LIQUID STATE WITH HYDROBROMIDE SALT OF AMINO-BENZOIC ACID ESTER, DEHYDRATING AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1990-11-13 US disclosed
EP-0254009-A1 A process for purifying dinitroaniline herbicides AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1988-01-27 EP disclosed
US-4537992-A ACYLHALIDES AND AMINOBENZOATE ESTERS AGAN CHEMICAL MANUFACTURERS, LTD. (IL) 1985-08-27 US disclosed
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 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 (5 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-20080167459-A1 Amidite for nucleic acid synthesis and nucleic acid synthesizing method GABBR2, RNGTT, BCAT2 HMGB1 2761/4885FOLH1 1617/4885DHODH 351/4885
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 HMGB1 3179/4885FOLH1 2516/4885DHODH 2194/4885
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same NCOA3, VDR, GRK3 HMGB1 3179/4885FOLH1 2516/4885DHODH 2194/4885
US-10766970-B2 Modified carbohydrates, compositions comprising the same, and methods of making and using the same ALG1, ALG8, CHIA HMGB1 323/4885FOLH1 1250/4885DHODH 3170/4885
US-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID NSUN2, RNMT, ADAR HMGB1 1272/4885FOLH1 2965/4885DHODH 1193/4885

“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.