SCHEMBL4294603

SCHEMBL4294603

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AR P10275 1/20 0.45
AGTR1 P30556 1/20 0.44
LMNA P02545 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4294706 0.87 TSHR (0.50) TSHRMAPK1KMT2ACYP1A2KDM4E
SCHEMBL26326238 0.85 TSHR (0.63) TSHRMAPK1KMT2ACYP1A2KDM4E
SCHEMBL13234849 0.84 KMT2A (0.54) TSHRKMT2AADRB2ADRB1USP2
SCHEMBL4347668 0.82 KMT2A (0.53) TSHRKMT2AARADRB2ADRB1
SCHEMBL772842 0.82 KMT2A (0.57) TSHRKMT2AADRB2ADRB1ALOX15
SCHEMBL16002431 0.82 TSHR (0.71) TSHRMAPK1KMT2ACYP1A2KDM4E
SCHEMBL29366942 0.82 TSHR (0.71) TSHRMAPK1KMT2ACYP1A2KDM4E
SCHEMBL1496789 0.82 TSHR (0.71) TSHRMAPK1KMT2ACYP1A2KDM4E
SCHEMBL14896741 0.82 TSHR (0.71) TSHRMAPK1KMT2ACYP1A2KDM4E
SCHEMBL9934643 0.81 TSHR (0.51) TSHRMAPK1KMT2ACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE RA CHEM PHARMA LIMITED (IN) 2011-12-15 US claimed
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE RA CHEM PHARMA LIMITED (IN) 2011-12-15 US disclosed
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE RA CHEM PHARMA LIMITED (IN) 2011-12-15 US disclosed
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE RA CHEM PHARMA LIMITED (IN) 2011-12-15 US disclosed
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE RA CHEM PHARMA LIMITED (IN) 2011-12-15 US disclosed
US-20090270469-A1 SUBSTITUTED OXAZOLIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
US-20090270469-A1 SUBSTITUTED OXAZOLIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
US-20090270469-A1 SUBSTITUTED OXAZOLIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-29 US disclosed
WO-2009132119-A2 SUBSTITUTED OXAZOLIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2009132119-A2 SUBSTITUTED OXAZOLIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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-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
US-6538142-B1 Reacting epichlorohydrin and 3,5-dimethylphenol; reacting with benzylamine; reduction with hydrogen in ammonia; cyclization by reacting with dimethyl carbonate in base FARCHEMIA S.R.L. (IT) 2003-03-25 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 (3 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-20090270469-A1 SUBSTITUTED OXAZOLIDINONES MUSK, MYLK2, PYGM TSHR 1583/4885MAPK1 2755/4885KMT2A 3965/4885
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE MTX1, XDH, MTX2 TSHR 2851/4885MAPK1 298/4885KMT2A 2417/4885
US-20050075505-A1 Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone ODC1, OGFOD1, KMO TSHR 2413/4885MAPK1 1239/4885KMT2A 552/4885

“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.