SCHEMBL772842

SCHEMBL772842

Cc1cc(C)cc(OCC(O)CN)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 3/20 0.49
ALOX15 P16050 1/20 0.47
USP2 O75604 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
MEN1 O00255 2/20 0.42
NR2E1 Q9Y466 1/20 0.40

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
Hydrochloric Acid SCHEMBL6367679 0.98 KMT2A (0.55) KMT2ASMN1; SMN2TSHRALOX15USP2
SCHEMBL4196193 0.87 KMT2A (0.49) KMT2ASMN1; SMN2TSHRALOX15USP2
SCHEMBL11593448 0.87 KMT2A (0.49) KMT2ASMN1; SMN2TSHRALOX15USP2
SCHEMBL773384 0.85 KMT2A (0.66) KMT2ASMN1; SMN2TSHRALOX15USP2
SCHEMBL13234849 0.82 KMT2A (0.54) KMT2ASMN1; SMN2TSHRUSP2ADRB2
SCHEMBL4294603 0.82 TSHR (0.54) KMT2ASMN1; SMN2TSHRALOX15USP2
SCHEMBL17277360 0.82 ADRB2 (0.64) KMT2ASMN1; SMN2TSHRALOX15ADRB2
SCHEMBL773103 0.82 ADRB2 (0.64) KMT2ASMN1; SMN2TSHRALOX15ADRB2
SCHEMBL17277327 0.82 ADRB2 (0.64) KMT2ASMN1; SMN2TSHRALOX15ADRB2
SCHEMBL14301107 0.81 KMT2A (0.62) KMT2ASMN1; SMN2TSHRALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008006096-A1 METAXALONE SYNTHESIS BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2008-01-10 WO claimed
US-20050075505-A1 Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone GANDHI BIREN JAIPRAKASH (IN) 2005-04-07 US claimed
WO-2003061552-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 5-(3,5-DIMETHYLPHENOXY)METHYL-2-OXAZOLIDINONE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-07-31 WO claimed
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 WO disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20050075505-A1 Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone GANDHI BIREN JAIPRAKASH (IN) 2005-04-07 US disclosed
US-20050075505-A1 Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone GANDHI BIREN JAIPRAKASH (IN) 2005-04-07 US disclosed
WO-2003061552-A3 NOVEL PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 5-(3,5-DIMETHYLPHENOXY)METHYL-2-OXAZOLIDINONE SUN PHARMACEUTICAL IND LTD (IN) 2004-04-15 WO disclosed
WO-2003061552-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 5-(3,5-DIMETHYLPHENOXY)METHYL-2-OXAZOLIDINONE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-07-31 WO disclosed
WO-2003061552-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTANTIALLY PURE 5-(3,5-DIMETHYLPHENOXY)METHYL-2-OXAZOLIDINONE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-07-31 WO disclosed
EP-0649402-A1 PRO-DRUG CAPABLE OF RELEASING AN OXAZOLIDINONE AND, IF NEED BE, AN ACETAMIDOPHENOL UNIVERSITE PAUL SABATIER (TOULOUSE III) (FR) 1995-04-26 EP disclosed
WO-1994001395-A1 PRO-DRUG CAPABLE OF RELEASING AN OXAZOLIDINONE AND, IF NEED BE, AN ACETAMIDOPHENOL UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 1994-01-20 WO disclosed
US-4377582-A HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1983-03-22 US disclosed
US-4306065-A HYPOTENSIVE A. H. ROBINS COMPANY, INCORPORATED (US) 1981-12-15 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 (4 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 KMT2A 1669/4885SMN1; SMN2 955/4885TSHR 1153/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 KMT2A 1669/4885SMN1; SMN2 955/4885TSHR 1153/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A KMT2A 572/4885SMN1; SMN2 676/4885TSHR 1538/4885
US-20050075505-A1 Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone ODC1, OGFOD1, KMO KMT2A 552/4885SMN1; SMN2 2568/4885TSHR 2413/4885

“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.