SCHEMBL4347668

SCHEMBL4347668

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
TSHR P16473 2/20 0.48
AR P10275 1/20 0.47
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
MEN1 O00255 3/20 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
SCHEMBL11592426 0.87 KMT2A (0.43) KMT2ATSHRARADRB2ADRB1
SCHEMBL10485533 0.85 KMT2A (0.50) KMT2ATSHRADRB2ADRB1SMN1; SMN2
SCHEMBL4294603 0.82 TSHR (0.54) KMT2ATSHRARADRB2ADRB1
SCHEMBL13234849 0.82 KMT2A (0.54) KMT2ATSHRADRB2ADRB1SMN1; SMN2
SCHEMBL1496641 0.82 ADRB2 (0.64) KMT2ATSHRADRB2ADRB1SMN1; SMN2
SCHEMBL772842 0.81 KMT2A (0.57) KMT2ATSHRADRB2ADRB1SMN1; SMN2
SCHEMBL1496592 0.81 USP2 (0.60) KMT2ATSHRARSMN1; SMN2POLB
SCHEMBL6299214 0.79 MAPT (0.58) KMT2ATSHRARADRB2ADRB1
SCHEMBL13991663 0.79 TSHR (0.58) KMT2ATSHRSMN1; SMN2POLBUSP2
Hydrochloric Acid SCHEMBL6367679 0.79 KMT2A (0.55) KMT2ATSHRADRB2ADRB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE RA CHEM PHARMA LIMITED (IN) 2011-12-15 US 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
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
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

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-20110306773-A1 PROCESS FOR PREPARATION OF METAXALONE MTX1, XDH, MTX2 KMT2A 2417/4885TSHR 2851/4885AR 1856/4885
US-20050075505-A1 Novel process for the preparation of substantially pure 5-(3,5-dimethylphenoxy)methyl-2-oxazolidinone ODC1, OGFOD1, KMO KMT2A 552/4885TSHR 2413/4885AR 3688/4885

“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.