SCHEMBL753603

SCHEMBL753603

C=CCc1ccc(OC(=O)C(C)c2ccc(CC(C)C)cc2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 4/20 0.53
PPARA Q07869 3/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49

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
SCHEMBL19900387 0.83 PTGS1 (0.72) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6860378 0.81 PTGS1 (0.69) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL5080304 0.80 PTGS2 (0.56) PTGS1LMNAPTGS2ALOX5
SCHEMBL11570387 0.80 PTGS2 (0.56) PTGS1LMNAPTGS2ALOX5
SCHEMBL891511 0.79 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL13879183 0.79 PSMB5 (0.47) PTGS1ALDH1A1LMNAPTGS2ALOX5
SCHEMBL14217614 0.79 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2PTGS2
SCHEMBL2556525 0.78 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL30464902 0.78 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6861607 0.78 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100588644-C Eugenol ibuprofen ester medical compound and its preparation and preparation method UNIV SHENYANG PHARMACEUTICAL 2010-02-10 CN claimed
CN-1597656-A Eugenol ibuprofen ester medical compound and its preparation and preparation method SHENYONG PHARMACEUTICAL UNIVER (CN) 2005-03-23 CN claimed
EP-3178822-B1 PHILLYGENIN IBUPROFEN ESTER, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF FU LI (CN) 2019-03-13 EP disclosed
US-9963461-B2 Phillygenin ibuprofen ester, preparation method therefor, and application thereof FU LI (CN) 2018-05-08 US disclosed
US-20170233403-A1 PHILLYGENIN IBUPROFEN ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FU LI (CN) 2017-08-17 US disclosed
EP-3178822-A1 PHILLYGENIN IBUPROFEN ESTER, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF Fu, Li (CN) 2017-06-14 EP disclosed
CN-103003228-B Compounds based on ibuprofen, preparation methods, uses and pharmaceutical preparation thereof HOU WENGE 2015-03-25 CN disclosed
US-20140112978-A1 IBUPROFEN-BASED COMPOUND, PREPARATION METHOD, USE, AND FORMULATION OF THE SAME Hellongjoamg Baoqinglong Biotechnology Co. Ltd. (VN) 2014-04-24 US disclosed
US-8703975-B2 Aryl (ethanoic) propanoic acid ascorbyl ester, preparation method thereof and medicament containing the same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD. (CN) 2014-04-22 US disclosed
CN-103003228-A Compounds based on ibuprofen, preparation methods, uses and pharmaceutical preparation thereof HEILONGJIANG BAOQINGLONG BIOTECHNOLOGY CO LTD 2013-03-27 CN disclosed
CN-102085205-B Medical compound preparation of eugenol aspirin ester and method for preparing same LANZHOU INST ANIMAL SCIENCE & VETERINARY PHARMACEUTICS CAAS 2012-08-29 CN disclosed
CN-101550119-B Ascorbic esters of aryl (ethyl) propionic acids, process for their preparation and medicaments containing them WUXI HONGRUI BIOMEDICINE TECHNOLOGY CO LTD 2012-05-30 CN disclosed
US-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD . (CN) 2012-05-10 US disclosed
EP-2431361-A1 ASCORBIC ACID ARYL ACETATE/PROPIONATE ESTER, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF Wuxi Hongrui Biomedical Technology Co., Ltd. (CN) 2012-03-21 EP disclosed
CN-102085205-A Medical compound preparation of eugenol aspirin ester and method for preparing same LANZHOU VETERINARY RES INST CHINESE ACADEMY OF AGRICULTURE SCEENCES 2011-06-08 CN disclosed
CN-101270052-B Eugenol aspirin ester medicinal compound and its preparation and preparation method LANZHOU INST OF ANIMAL SCIENCE AND VETERINARY PHARMACEUTICS CAAS 2010-06-09 CN disclosed
CN-100588644-C Eugenol ibuprofen ester medical compound and its preparation and preparation method UNIV SHENYANG PHARMACEUTICAL 2010-02-10 CN disclosed
CN-101550119-A Aryl (ethanoic) propanoic acid ascorbyl ester, preparation method thereof and medicament containing same UNIV JIANGNAN (CN) 2009-10-07 CN disclosed
CN-101270052-A Eugenol aspirin ester medicinal compound and its preparation and preparation method LANZHOU INST OF ANIMAL SCIENCE (CN) 2008-09-24 CN disclosed
CN-1597656-A Eugenol ibuprofen ester medical compound and its preparation and preparation method SHENYONG PHARMACEUTICAL UNIVER (CN) 2005-03-23 CN 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-20170233403-A1 PHILLYGENIN IBUPROFEN ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF CYP4F11, COX15, PTGS1 PTGS1 3/4885MEN1 3747/4885KMT2A 3777/4885
US-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same HTRA2, CYP27A1, ALOX15 PTGS1 31/4885MEN1 4002/4885KMT2A 4293/4885
US-20140112978-A1 IBUPROFEN-BASED COMPOUND, PREPARATION METHOD, USE, AND FORMULATION OF THE SAME FABP4, ELOVL6, ALOX5 PTGS1 16/4885MEN1 3475/4885KMT2A 4425/4885

“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.