SCHEMBL4073722

SCHEMBL4073722

COc1ccc(CN[C@H](C)c2ccccc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.62
LMNA P02545 3/20 0.60
KMT2A Q03164 8/20 0.59
MEN1 O00255 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADRB2 P07550 1/20 0.51

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
SCHEMBL29551865 1.00 CASR (0.62) CASRLMNAKMT2AMEN1TDP1
SCHEMBL607183 1.00 CASR (0.62) CASRLMNAKMT2AMEN1TDP1
SCHEMBL14469768 0.92 CASR (0.58) CASRLMNAKMT2AMEN1TDP1
Cadaverine Tartrate SCHEMBL5825857 0.90 KMT2A (0.59) CASRLMNAKMT2AMEN1TDP1
Cadaverine Tartrate SCHEMBL5825862 0.90 KMT2A (0.59) CASRLMNAKMT2AMEN1TDP1
Trifluoroacetic Acid SCHEMBL28937395 0.89 CASR (0.61) CASRLMNAKMT2AMEN1TDP1
Trifluoroacetic Acid SCHEMBL29551765 0.89 CASR (0.61) CASRLMNAKMT2AMEN1TDP1
SCHEMBL13868189 0.88 CASR (0.73) CASRLMNAKMT2AMEN1TDP1
SCHEMBL3921801 0.86 CASR (0.67) CASRLMNAKMT2AMEN1TDP1
SCHEMBL13868174 0.86 CASR (0.78) CASRLMNAKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730993-A Teranavir intermediate and preparation method of Teranavir 浙江科技学院 2023-09-12 CN disclosed
EP-1481961-B1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE SUMITOMO CHEMICAL CO (JP) 2009-11-25 EP disclosed
EP-1481961-B1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE SUMITOMO CHEMICAL CO (JP) 2009-11-25 EP disclosed
EP-1894912-B1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-05 EP disclosed
EP-1894912-B1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-05 EP disclosed
EP-1894912-A1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester Sumitomo Chemical Company, Limited (JP) 2008-03-05 EP disclosed
EP-1894912-A1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester Sumitomo Chemical Company, Limited (JP) 2008-03-05 EP disclosed
JP-2006225272-A (R)-N-(3,4-DIMETHOXYBENZYL)-1-PHENYLETHYLAMINE L-TARTRATE AND METHOD OF PURIFYING (R)-N-(3,4-DIMETHOXYBENZYL)-1-PHENYLETHYLAMINE USING THE SAME SUMITOMO CHEMICAL CO LTD 2006-08-31 JP disclosed
CN-1821190-A Purifying method of (r)-n-(3,4-dimethoxy benzyl)-1-phenylethylamine l-tartrate and purifying method of (r)-n-(3,4-dimethoxy benzyl)-1-phenylethylamine SUMITOMO CHEMICAL CO (JP) 2006-08-23 CN disclosed
CN-1821190-A Purifying method of (r)-n-(3,4-dimethoxy benzyl)-1-phenylethylamine l-tartrate and purifying method of (r)-n-(3,4-dimethoxy benzyl)-1-phenylethylamine SUMITOMO CHEMICAL CO (JP) 2006-08-23 CN disclosed
US-7038075-B2 Production method of racemic 3-hydroxy-3-(2-phenylethyl)hexanoic acid C1-6 alkyl ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-02 US disclosed
US-20060020023-A1 Racemization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
US-20060016683-A1 Photoracamization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
US-20060020022-A1 Enantioselective separation method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US disclosed
EP-1481961-A1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040138496-A1 Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-07-15 US disclosed
US-6683207-B2 RESOLUTION USING 1-AMINO-1-PHENYLETHANE DERIVATIVE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-01-27 US disclosed
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-09-18 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 (5 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-20040138496-A1 Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof HAAO, HPD, HAO2 CASR 2564/4885LMNA 4401/4885KMT2A 2893/4885
US-20060020023-A1 Racemization method STS, SQLE, HAO2 CASR 2583/4885LMNA 2924/4885KMT2A 3091/4885
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 CASR 2626/4885LMNA 4378/4885KMT2A 2876/4885
US-20060016683-A1 Photoracamization method CYP3A43, CRY2, CRY1 CASR 1093/4885LMNA 2607/4885KMT2A 2672/4885
US-20060020022-A1 Enantioselective separation method SLC7A1, SLC10A1, DHCR7 CASR 1648/4885LMNA 3541/4885KMT2A 3266/4885

“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.