SCHEMBL3311087

SCHEMBL3311087

O=C(O)CCC(=O)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.55
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.49
CTSG P08311 1/20 0.49
CTRB1 P17538 1/20 0.49
CMA1 P23946 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
Water SCHEMBL28970354 0.98 NR4A2 (0.53) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL28158437 0.98 NR4A2 (0.53) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL27634094 0.98 NR4A2 (0.53) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL9318015 0.94 LMNA (0.56) NR4A2LMNAALDH1A1F2PRSS1
SCHEMBL27913952 0.92 POLB (0.44) NR4A2LMNAALDH1A1GAACYP2C19
Water SCHEMBL21440321 0.92 LMNA (0.54) NR4A2LMNAALDH1A1F2PRSS1
SCHEMBL15485653 0.92 LMNA (0.54) NR4A2LMNAALDH1A1F2PRSS1
SCHEMBL27192192 0.92 LMNA (0.54) NR4A2LMNAALDH1A1F2PRSS1
SCHEMBL7202703 0.89 HDAC3 (0.56) NR4A2LMNAALDH1A1GAACYP2C19
SCHEMBL11469404 0.89 HDAC3 (0.52) NR4A2LMNAALDH1A1GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104430311-A Active bactericidal medicine as well as preparation method and special equipment thereof BEIJING HYGIENE AND HEALTHCARE INOVATION TECHNOLOGY CO LTD 2015-03-25 CN claimed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US claimed
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2010-04-29 US claimed
EP-2132192-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE Lupin Limited (IN) 2009-12-16 EP claimed
WO-2008107911-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2008-09-12 WO claimed
CN-112742427-B Startup method of hydrogenation catalyst 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-112742428-B Preparation method of vulcanized hydrogenation catalyst 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-113784755-A Salts of isochroman-based compounds, crystalline forms thereof, processes for their preparation, their use in therapy and pharmaceutical compositions containing them 赛诺维信制药公司 2021-12-10 CN disclosed
EP-2828369-B1 LIQUID CLEANING AND DISINFECTING COMPOSITIONS PROCTER & GAMBLE (US) 2019-01-02 EP disclosed
EP-1695708-B1 Highly concentrated minoxidil composition STIEFEL RES AUSTRALIA PTY LTD (AU) 2018-02-28 EP disclosed
EP-2827709-B1 LIQUID CLEANING AND DISINFECTING COMPOSITIONS PROCTER & GAMBLE (US) 2017-09-06 EP disclosed
CN-104430311-B Active bactericidal medicine as well as preparation method and special equipment thereof 北京海洁海斯健康科技有限公司 2017-05-10 CN disclosed
US-20100143842-A1 METHOD FOR PRODUCING A COPOLYMER SOLUTION WITH A UNIFORM CONCENTRATION FOR SEMICONDUCTOR LITHOGRAPHY MARUZEN PETROCHEMICAL CO., LTD. (JP) 2010-06-10 US disclosed
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2010-04-29 US disclosed
EP-2132192-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE Lupin Limited (IN) 2009-12-16 EP disclosed
WO-2008107911-A2 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2008-09-12 WO disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
US-5405656-A Electroless plating; then radiation NIPPONDENSO CO., LTD. (JP) 1995-04-11 US disclosed
EP-0559216-A1 Process for producing urethan foam having high-density skin layer TOSOH CORPORATION (JP) 1993-09-08 EP disclosed
EP-0281036-A2 A process for preparing a polyarylene thioether IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-07 EP 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 (1 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-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE MAOA, SLC6A3, PNMT NR4A2 1235/4885LMNA 1205/4885ALDH1A1 155/4885

“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.