SCHEMBL784658

SCHEMBL784658

COC(COC(C)=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36

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
SCHEMBL12918469 0.88 TDP1 (0.50) TDP1ALDH1A1LMNAHSD17B10TSHR
Ethylene Glycol SCHEMBL11597315 0.83 TDP1 (0.46) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL31519170 0.83 ALDH1A1 (0.42) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL2349139 0.81 ALDH1A1 (0.41) TDP1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL31519162 0.81 TDP1 (0.36) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL13886570 0.80 ALDH1A1 (0.54) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL31519174 0.80 TDP1 (0.35) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL1079198 0.79 TDP1 (0.56) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL2930338 0.78 ALDH1A1 (0.52) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL11720069 0.77 TSHR (0.43) TDP1ALDH1A1LMNATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380781-A Preparation method of 2-cyano-8-nitro-4-oxo-4H-1-benzopyran 南京焕然生物科技有限公司 2022-04-22 CN claimed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP claimed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO claimed
CN-117203181-A Halogenated cyclopropanation process 科迪华农业科技有限责任公司 2023-12-08 CN disclosed
US-20230288807-A1 PHOTORESIST, METHOD OF MANUFACTURING A SEMICONDUCTOR DEVICE AND METHOD OF EXTREME ULTRAVIOLET LITHOGRAPHY TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2023-09-14 US disclosed
CN-115666546-A Enteral oxidation therapy 卢普奥克西治疗公司 2023-01-31 CN disclosed
CN-115066445-A Polyisocyanate formulations 科思创德国股份有限公司 2022-09-16 CN disclosed
CN-114380781-A Preparation method of 2-cyano-8-nitro-4-oxo-4H-1-benzopyran 南京焕然生物科技有限公司 2022-04-22 CN disclosed
CN-113825398-A Pyridazinone compounds and herbicides 日产化学株式会社 2021-12-21 CN disclosed
WO-2020020377-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR 北京加科思新药研发有限公司 2020-01-30 WO disclosed
US-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2011-07-21 US disclosed
EP-2324041-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Corp. (US) 2011-05-25 EP disclosed
WO-2010019511-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS CORP. (US) 2010-02-18 WO disclosed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed
CN-1213457-A Method and apparatus for babricating silion dioxide and silicon glass layer in integrated circuits SYMETRIX CORP (US) 1999-04-07 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 (2 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-20110178001-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH TDP1 3195/4885ALDH1A1 3493/4885LMNA 3377/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS TDP1 630/4885ALDH1A1 14/4885LMNA 2068/4885

“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.