SCHEMBL1497960

SCHEMBL1497960

CC(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ALOX5 P09917 1/20 0.58
MAPT P10636 2/20 0.56
MAOB P27338 2/20 0.56
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.55
NR4A1 P22736 1/20 0.54

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
SCHEMBL9121973 0.95 ACACB (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
Biphenyl SCHEMBL9839827 0.94 ACACB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL24533732 0.91 RXRA (0.58) ALOX5RXRARXRB
SCHEMBL17602110 0.89 ALOX5 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17602106 0.86 MAPT (0.71) MAPTMAOBRAB9AMEN1KMT2A
SCHEMBL10758358 0.85 MEN1 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9127543 0.85 ALOX5 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3239740 0.85 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11606393 0.85 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL683554 0.85 RXRA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880085-B Use of [ Rnim][OSO2OR]Method for synthesizing salidroside by Lewis acid ionic liquid system 枣庄学院 2021-04-09 CN claimed
CN-110818560-A Preparation method of 4-benzyloxy phenyl ethyl n-decanoate 怀化金鑫新材料有限公司 2020-02-21 CN claimed
CN-102898289-B Method for synthesizing 2-(4-benzylmethoxyphenyl)ethanol medical intermediate Jiangsu defeng pharmaceutical co ltd 2014-09-03 CN claimed
CN-102898289-A Method for synthesizing 2-(4-benzylmethoxyphenyl)ethanol medical intermediate Jiangsu defeng pharmaceutical co ltd 2013-01-30 CN claimed
US-7019172-B2 Process for preparation of S-(-)-betaxolol and salts thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-03-28 US claimed
US-20060004109-A1 Cyclopropanating 1-(2-allyloxyethyl)-4-benzyloxybenzene by the Simmon-Smith reaction with Furukawa modification to obtain the enantiomer 1-benzyloxy-4-(2-cyclopropyl methoxyethyl)benzene of high purity; avoiding the use of highly lacrymatric and unstable cyclopropylmethyl halide COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-01-05 US claimed
CN-114213248-A Preparation method of 4-benzyloxy phenyl ethyl n-decanoate 郑州睿嘉纳米新材料科技有限公司 2022-03-22 CN disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
CN-110818560-A Preparation method of 4-benzyloxy phenyl ethyl n-decanoate 怀化金鑫新材料有限公司 2020-02-21 CN disclosed
CN-110818560-A Preparation method of 4-benzyloxy phenyl ethyl n-decanoate 怀化金鑫新材料有限公司 2020-02-21 CN disclosed
US-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
CN-101528669-A Deuterated aminoglycidyl compounds AUSPEX PHARMACEUTICALS INC (US) 2009-09-09 CN disclosed
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2009-06-18 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-7019172-B2 Process for preparation of S-(-)-betaxolol and salts thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-03-28 US disclosed
US-20060004109-A1 Cyclopropanating 1-(2-allyloxyethyl)-4-benzyloxybenzene by the Simmon-Smith reaction with Furukawa modification to obtain the enantiomer 1-benzyloxy-4-(2-cyclopropyl methoxyethyl)benzene of high purity; avoiding the use of highly lacrymatric and unstable cyclopropylmethyl halide COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-01-05 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A LMNA 3920/4885CYP1A2 408/4885PTGS1 707/4885
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 LMNA 2268/4885CYP1A2 1996/4885PTGS1 1014/4885
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A LMNA 2021/4885CYP1A2 17/4885PTGS1 625/4885
US-20060004109-A1 Cyclopropanating 1-(2-allyloxyethyl)-4-benzyloxybenzene by the Simmon-Smith reaction with Furukawa modification to obtain the enantiomer 1-benzyloxy-4-(2-cyclopropyl methoxyethyl)benzene of high purity; avoiding the use of highly lacrymatric and unstable cyclopropylmethyl halide SMAD2, SPHK1, TGFBR1 LMNA 2697/4885CYP1A2 450/4885PTGS1 419/4885

“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.