SCHEMBL4496746

SCHEMBL4496746

CC1OC(=O)c2c(Cl)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 6/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 4/20 0.35
MAOB P27338 3/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
RECQL P46063 1/20 0.34
CACNG8 Q8WXS5 2/20 0.34
GRIA1 P42261 1/20 0.34
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33

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
SCHEMBL12718595 0.78 HTR2A (0.38) PBRM1MEN1KMT2AHTR2AHTR2C
SCHEMBL4488117 0.77 MAOA (0.53) MAPK1SMN1; SMN2MAOAMAOBTSHR
SCHEMBL4496694 0.77 MAOA (0.34) MAPK1MAOAMAOB
SCHEMBL17671008 0.77 MAOA (0.34) MAPK1MAOAMAOB
SCHEMBL1869956 0.77 ADORA2A (0.37) MAOAMAOBTSHRRECQL
SCHEMBL5426438 0.77 PBRM1 (0.39) PBRM1MEN1MAPK1KMT2ANPSR1
SCHEMBL11542708 0.73 ALDH1A1 (0.59) PBRM1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL8809006 0.73 PBRM1 (0.36) PBRM1MEN1MAPK1KMT2ANPSR1
SCHEMBL1868789 0.72 S100A4 (0.47) KMT2ASMN1; SMN2MAOATSHRRECQL
SCHEMBL16870455 0.70 MAOA (0.47) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327058-A Synthesis method of 7- [ (4, 6-dimethyl-2-pyrimidinyl) thio ] -3-methyl-1 (3H) -isopropyl furanone 顺毅南通化工有限公司 2024-01-02 CN disclosed
US-7528266-B2 Chemical intermediates of byproduct-free 7-thio-3H-isobenzofuran-1-one derivatives and herbicidal 7-[(4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-3H-isobenzo-furan-1-one SYNGENTA CROP PROTECTION, INC. (US) 2009-05-05 US disclosed
US-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-05-08 US disclosed
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-04-24 US disclosed
US-7307175-B2 Process for the preparation of 7-substituted 3-alkyl-3H-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-12-11 US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
US-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
EP-1611098-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2006-12-27 EP disclosed
EP-1390339-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-02-01 EP disclosed
EP-1611098-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004089897-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-10-21 WO disclosed
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. 2004-08-12 US disclosed
EP-1390339-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES Syngenta Participations AG (CH) 2004-02-25 EP disclosed
WO-2002094760-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-11-28 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 (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-20070191457-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR4, HTR7, HTR2C PBRM1 4354/4885MEN1 2379/4885MAPK1 3501/4885
US-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, CYP2S1, SULT2A1 PBRM1 2575/4885MEN1 2452/4885MAPK1 2191/4885
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES C1S, C1R, C3AR1 PBRM1 3767/4885MEN1 85/4885MAPK1 860/4885
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives CBR1, AFF1, ALK PBRM1 605/4885MEN1 2645/4885MAPK1 181/4885

“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.