SCHEMBL223030

SCHEMBL223030

O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
TP53 P04637 1/20 1.00
CYP2D6 P10635 2/20 0.65
RECQL P46063 1/20 0.61
LMNA P02545 2/20 0.56
F2 P00734 1/20 0.56
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46

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
SCHEMBL14117921 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL221678 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL7685 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL11886503 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL670257 1.00 TSHR (1.00) TSHRTP53CYP2D6RECQLLMNA
Ammonia Solution, Strong SCHEMBL11444695 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28150719 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL312080 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
Water SCHEMBL365251 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA
SCHEMBL28149702 0.98 TSHR (0.96) TSHRTP53CYP2D6RECQLLMNA

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

Appears in 2671 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132108-A1 PREPARATION OF MESEMBRINE KANNA HEALTH LTD (GB) 2026-05-14 US claimed
CN-122010930-A Method for preparing refined crystals of non-nefardone and intermediate by using non-nefardone racemate 罗欣药业(上海)有限公司 2026-05-12 CN claimed
US-20260125390-A1 SOLID FORMS OF MACROCYCLIC COMPOUNDS, SALTS AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE SAME KURA ONCOLOGY INC (US) 2026-05-07 US claimed
EP-4234546-B1 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC (US) 2026-04-15 EP claimed
EP-4720073-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS Kura Oncology, Inc. (US) 2026-04-08 EP claimed
US-12473281-B2 Synthesis of KRAS G12C inhibitor compound AMGEN INC. (US) 2025-11-18 US claimed
EP-4598904-A1 PREPARATION OF MESEMBRINE Kanna Health Limited (GB) 2025-08-13 EP claimed
US-20250215005-A1 PROCESS FOR PREPARATION OF RUXOLITINIB ALIVUS LIFE SCIENCES LIMITED (IN) 2025-07-03 US claimed
US-20250206736-A1 SYNTHESIS OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. (US) 2025-06-26 US claimed
WO-2025133917-A1 PROCESS FOR THE PREPARATION OF (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5- ETHOXY-1, 4-DIHYDRO-2,8-DIMETHYL-1,6-NAPTHYRIDINE-3-CARBOXAMIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2025-06-26 WO claimed
EP-0141408-B1 PROCESS FOR THE PREPARATION OF L(-)CARNITINE HYDROCHLORIDE AND OF L(-)CARNITINE INNER SALT ISOM S.p.A. (IT) 1989-08-23 EP claimed
EP-0107825-B1 1,3,4,6,7,11B-HEXAHYDRO-7-ARYL-2H-PYRAZINO (2,1-ALPHA) ISOQUINOLINES USEFUL AS INTERMEDIATES AND PHARMACEUTICAL COMPOUNDS AND METHODS OF PREPARATION PENNWALT CORPORATION (US) 1988-03-02 EP claimed
US-4658060-A Preparation of (-)-5-(beta)-1-hydroxy-2-((beta)-1-methyl-3-phenylpropyl)aminoethyl) salicylamide SCHERING CORPORATION (US) 1987-04-14 US claimed
EP-0092787-B1 PROCESS FOR THE PREPARATION OF A PHENYLALKYLAMINOETHYLSALICYLAMIDE SCHERING CORPORATION (US) 1986-08-27 EP claimed
EP-0141408-A2 Process for the preparation of L(-)carnitine hydrochloride and of L(-)carnitine inner salt ISOM S.p.A. (IT) 1985-05-15 EP claimed
EP-0107825-A1 1,3,4,6,7,11b-Hexahydro-7-aryl-2H-pyrazino (2,1-alpha) isoquinolines useful as intermediates and pharmaceutical compounds and methods of preparation PENNWALT CORPORATION (US) 1984-05-09 EP claimed
EP-0092787-A1 Process for the preparation of a phenylalkylaminoethylsalicylamide SCHERING CORPORATION (US) 1983-11-02 EP claimed
US-4370500-A Compound: d-N-(2-amino-2-phenethyl)-2-methoxyethylamine and process for preparing the same by selective crystallization AMERICAN CYANAMID COMPANY (US) 1983-01-25 US claimed
EP-0029175-B1 PROCESS FOR THE OBTENTION OF THE ENANTIOMERIC FORMS OF 4-CYANE-1-(N-METHYL-N-(2'-((3\",4\"-DIMETHOXYPHENYL))ETHYL-AMINO)-5-METHYL-4-(3',4',5'-TRIMETHOXYPHENYL) HEXANE AND ITS SALTS BASF Aktiengesellschaft (DE) 1982-12-15 EP claimed
EP-0010851-A2 Process for the preparation of tetramisole AMERICAN CYANAMID COMPANY (US) 1980-05-14 EP claimed