SCHEMBL3218918

SCHEMBL3218918

[CH2]C(COC(C)=O)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 1/20 0.36
CHRM1 P11229 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
TBXA2R P21731 2/20 0.35
HPGD P15428 1/20 0.35
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL4964734 0.88 TDP1 (0.43) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL3577130 0.81 PRKCA (0.50) TDP1TSHRCHRM1CHRM2CHRM4
SCHEMBL20599618 0.81
SCHEMBL20599585 0.81
SCHEMBL11488939 0.81
SCHEMBL2100144 0.81
SCHEMBL8719451 0.77 TSHR (0.40) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL11461584 0.77 ALOX15 (0.43) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL6966711 0.77 TDP1 (0.46) TDP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL8723281 0.75 TDP1 (0.75) TDP1TSHRALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316878-B A kind of preparation method of iomeprol impurity 重庆常捷医药有限公司 2018-01-19 CN claimed
CN-104666246-A Orally Bioavailable Lipid-based Constructs SDG INC AN OHIO CORPRATION 2015-06-03 CN claimed
CN-102015624-B Preparation method of iopromide LG LIFE SCIENCES LTD 2013-11-06 CN claimed
CN-102015624-A New preparation method of iopromide LG LIFE SCIENCES LTD 2011-04-13 CN claimed
CN-101917971-A Orally bioavailable lipid-based structures SDG INC AN OHIO CORP 2010-12-15 CN claimed
US-6803485-B2 WATER SOLUBLE CONTRAST AGENT BRACCO IMAGING S.P.A. (IT) 2004-10-12 US claimed
EP-1154986-B1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING SPA (IT) 2004-06-09 EP claimed
US-20010056206-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL BRACCO IMAGING S.P.A. (IT) 2001-12-27 US claimed
EP-1154986-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL ABBOTT LABORATORIES (US) 2001-11-21 EP claimed
WO-2000050385-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL ABBOTT LABORATORIES (US) 2000-08-31 WO claimed
EP-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 EP claimed
EP-0034894-B1 2-(1-PIPERAZINYL)-2,4,6-CYCLOHEPTATRIEN-1-ONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES USED IN THE PROCESSES AND THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1984-09-12 EP claimed
US-4469694-A 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives AYERST, MCKENNA & HARRISON INC. (CA) 1984-09-04 US claimed
EP-0034894-A2 2-(1-Piperazinyl)-2,4,6-cycloheptatrien-1-one derivatives, processes for their preparation, intermediates used in the processes and the preparation thereof and pharmaceutical compositions containing the derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1981-09-02 EP claimed
US-3985726-A DYEING AND PRINTING LEATHER, WOOL, SILK AND SYNTHETIC FIBERS CIBA-GEIGY AG (CH) 1976-10-12 US claimed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US claimed
CN-109843965-B Epoxy resin composition for forming printed wiring board 日产化学株式会社 2021-07-27 CN disclosed
CN-105431751-B Vinyl alcohol system polymer film 株式会社可乐丽 2018-04-06 CN disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 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-20010056206-A1 PROCESS FOR THE PREPARATION OF IOPAMIDOL ITPA, ITPR3, PPIP5K2 TDP1 1265/4885TSHR 1147/4885ALDH1A1 3966/4885

“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.