SCHEMBL733307

SCHEMBL733307

CCC(=O)c1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
PARP1 P09874 1/20 0.62
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
HSD11B1 P28845 1/20 0.59
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57

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
SCHEMBL11248287 0.87 CES2 (0.69) CES2CES1PARP1HDAC3HDAC4
SCHEMBL30758862 0.87 CES2 (0.69) CES2CES1PARP1HDAC3HDAC4
SCHEMBL28228418 0.86 MTNR1B (0.68) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL4637827 0.86 CES2 (0.62) CES2CES1PARP1HDAC3HDAC4
SCHEMBL28558306 0.85 CTNNB1 (0.50) CES2CES1PARP1HDAC3HDAC4
SCHEMBL29588852 0.85 CES2 (0.67) CES2CES1PARP1HDAC3HDAC4
SCHEMBL25736079 0.85 ERCC5 (0.49) CES2CES1PARP1HDAC3HDAC4
SCHEMBL1305114 0.85 CES2 (0.67) CES2CES1PARP1HDAC3HDAC4
SCHEMBL24262851 0.84 CES2 (0.65) CES2CES1PARP1HDAC3HDAC4
SCHEMBL13780501 0.84 CES2 (0.65) CES2CES1PARP1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114858944-B Method for detecting p-methoxypropiophenone related substances 石家庄四药有限公司 2023-02-03 CN claimed
EP-4116288-A1 RACEMIZATION OF (S) AND/OR (R)-3-(DIMETHYLAMINO)-1-(3-METHOXYPHENYL)-2-METHYLPROPAN-1- ONE AND ITS MIXTURES KRKA, d.d., Novo mesto (SI) 2023-01-11 EP claimed
CN-114858944-A Method for detecting p-methoxypropiophenone related substances 石家庄四药有限公司 2022-08-05 CN claimed
CN-114733471-A Tubular reactor suitable for producing m-methoxypropiophenone 东营曜康医药科技有限公司 2022-07-12 CN claimed
CN-112255357-B Analysis method for qualitative determination of unknown impurities in m-methoxypropiophenone process by gas chromatography-mass spectrometry 济南悟通生物科技有限公司 2021-12-03 CN claimed
CN-112255357-A Analysis method for qualitative determination of unknown impurities in m-methoxypropiophenone process by gas chromatography-mass spectrometry 济南悟通生物科技有限公司 2021-01-22 CN claimed
EP-3713911-A1 METHOD FOR THE PREPARATION OF TAPENTADOL AND ITS INTERMEDIATES Saneca Pharmaceuticals a.s. (SK) 2020-09-30 EP claimed
CN-108083999-B Green preparation method of alpha-hydroxyketone 西北师范大学 2020-08-11 CN claimed
CN-210846394-U Tubular reactor suitable for producing m-methoxypropiophenone 济南悟通生物科技有限公司 2020-06-26 CN claimed
CN-210141720-U Device for preventing condenser from being blocked by ice in synthesis of m-methoxy propiophenone 东营曜康医药科技有限公司 2020-03-13 CN claimed
WO-2019035775-A1 METHOD FOR THE PREPARATION OF TAPENTADOL AND ITS INTERMEDIATES SANECA PHARMACEUTICALS A.S. (SK) 2019-02-21 WO claimed
EP-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 EP claimed
CN-106278915-A A kind of method preparing tapentadol hydrochloride intermediate 重庆圣华曦药业股份有限公司 2017-01-04 CN claimed
CN-104355981-A Preparation method of tapentadol intermediate methoxypropiophenone SUZHOU JONATHAN NEW MATERIALS TECHNOLOGY CO LTD 2015-02-18 CN claimed
CN-101671245-B Process for preparing 3-methoxypropiophenone TANG BAOQING 2014-07-09 CN claimed
US-8410176-B2 Intermediate compounds and processes for the preparation of tapentadol and related compounds MAPI PHARMA LTD. (IL) 2013-04-02 US claimed
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LIMITED (IL) 2012-11-08 US claimed
CN-101671245-A Process for preparing 3-methoxypropiophenone BAOQING TANG 2010-03-17 CN claimed
EP-3210965-B2 PROCESS FOR THE PREPARATION OF (1R,2R)-3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2026-05-13 EP disclosed
US-4147872-A 3-[2-Hydroxy-4-(substituted)-phenyl]azacycloalkanes and derivatives thereof as analgesic agents and intermediates therefor PFIZER INC. (US) 1979-04-03 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 (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-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS PNMT, OPRK1, CYP2E1 CES2 324/4885CES1 303/4885PARP1 3517/4885

“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.