SCHEMBL6935540

SCHEMBL6935540

COC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
GRM4 Q14833 4/20 0.50
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL22557986 1.00 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL11397934 1.00 ALDH1A1 (0.73) ALDH1A1GRM4MAPTNPSR1ALOX15
Hydrochloric Acid SCHEMBL6935538 0.99 ALDH1A1 (0.76) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL22972798 0.88 ALDH1A1 (0.58) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL503583 0.88 ALDH1A1 (0.58) ALDH1A1GRM4MAPTNPSR1ALOX15
Hydrochloric Acid SCHEMBL2787874 0.87 ALDH1A1 (0.60) ALDH1A1GRM4MAPTNPSR1ALOX15
Hydrochloric Acid SCHEMBL3813837 0.87 ALDH1A1 (0.60) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL26869734 0.87 ALDH1A1 (0.57) ALDH1A1GRM4MAPTNPSR1ALOX15
SCHEMBL27372203 0.86 ALDH1A1 (0.97) ALDH1A1GRM4TDP1TSHRSMN1; SMN2
SCHEMBL108202 0.83 SLC7A5 (0.65) ALDH1A1GRM4MAPTNPSR1ALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206831-A Conjugates of auxin analogs 以色列国家农业部、农村发展农业研究组织·沃尔卡尼中心 2022-03-18 CN disclosed
EP-3956294-A1 CONJUGATES OF AUXIN ANALOGS The State of Israel, Ministry of Agriculture and Rural Development, Agricultural Research Organization (ARO) (Volcani Center) (IL) 2022-02-23 EP disclosed
US-20220030866-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (IL) 2022-02-03 US disclosed
WO-2020212993-A1 CONJUGATES OF AUXIN ANALOGS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-10-22 WO disclosed
EP-0984981-B1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LTD (GB) 2003-12-17 EP disclosed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 US disclosed
EP-1070048-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-11-07 EP disclosed
EP-1070048-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
US-6093696-A N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1999051569-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 ALDH1A1 100/4885GRM4 3196/4885MAPT 3737/4885
US-20220030866-A1 CONJUGATES OF AUXIN ANALOGS CROCC, CCNY, AGXT ALDH1A1 1024/4885GRM4 1382/4885MAPT 4290/4885

“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.