SCHEMBL269177

SCHEMBL269177

COc1cccc(CC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.62
IDO1 P14902 2/20 0.58
AGXT P21549 2/20 0.58
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MMP13 P45452 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CMA1 P23946 1/20 0.53
USP2 O75604 1/20 0.53

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
Formaldehyde SCHEMBL3072058 0.96 CTBP2 (0.59) CTBP2IDO1AGXTMTNR1AMTNR1B
SCHEMBL4071390 0.87 CTBP2 (0.64) CTBP2IDO1AGXTMTNR1AMTNR1B
SCHEMBL2209808 0.86 CTBP2 (0.56) CTBP2MTNR1AMTNR1BCYP1A2ALDH1A1
SCHEMBL15513856 0.85 CTBP2 (0.62) CTBP2IDO1AGXTMTNR1AMTNR1B
SCHEMBL229067 0.85 PTGS1 (0.67) CTBP2IDO1AGXTCYP1A2ALDH1A1
SCHEMBL29824310 0.85 PTGS1 (0.67) CTBP2IDO1AGXTCYP1A2ALDH1A1
SCHEMBL4957554 0.85 CTBP2 (0.57) CTBP2IDO1AGXTMTNR1AMTNR1B
SCHEMBL4684338 0.84 CTBP2 (0.60) CTBP2IDO1AGXTMTNR1AMTNR1B
SCHEMBL378705 0.84 SMN1; SMN2 (0.61) CTBP2MTNR1AMTNR1BCYP1A2ALDH1A1
SCHEMBL694402 0.84 CYP3A4 (0.58) CTBP2ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250033082-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2025-01-30 US claimed
EP-4423178-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2024-09-04 EP claimed
CN-118201991-A Methods and compositions for reducing solvent release from agrochemical formulations and reducing agrochemical formulation odor 安道麦马克西姆有限公司 2024-06-14 CN claimed
WO-2023073536-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2023-05-04 WO claimed
CN-106518635-A Synthesis method for 3-methoxypropiophenone 三峡大学 2017-03-22 CN claimed
WO-2016202808-A2 NEW SYNTHESIS OF TAPENTADOL-HCl INTERMEDIATES AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2016-12-22 WO claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
EP-2519100-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS Mapi Pharma Limited (IL) 2012-11-07 EP claimed
WO-2011080736-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA HK LIMITED (CN) 2011-07-07 WO claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP claimed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO claimed
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-12-25 US disclosed
CN-119176758-B Method for preparing tapentadol or pharmaceutically acceptable salt thereof by immobilized catalysis 苏州盛迪亚生物医药有限公司 2025-05-09 CN disclosed
US-4187313-A HYPOTENSIVE AGENTS, BRADYCARDIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-02-05 US disclosed
EP-0003359-A1 Specific optical isomers of 2-aminoethyl-1,4-benzodioxanes, process for their preparation and their pharmaceutical compositions CIBA-GEIGY AG (CH) 1979-08-08 EP disclosed
US-4139425-A CONTAINING AS A BRIGHTENER THE REACTION PRODUCT OF AN UNSATURATED NITROGEN HETEROCYCLIC CPD. WITH FORMALDEHYDE AND AN UNSATD ALDEHYDE R. O. HULL & COMPANY, INC. (US) 1979-02-13 US disclosed
US-3987200-A INOTROPIC AGENTS, 3,4-DIHYDROXY-PHENYL-ALKYL PHENETHYLAMINE ELI LILLY AND COMPANY (US) 1976-10-19 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 (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-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 CTBP2 2811/4885IDO1 1745/4885AGXT 4690/4885
US-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC CTBP2 1977/4885IDO1 3181/4885AGXT 247/4885
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF ESRRA, ESRRB, ESR2 CTBP2 2523/4885IDO1 3040/4885AGXT 2122/4885

“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.