SCHEMBL5665359

SCHEMBL5665359

CC(=O)Oc1ccccc1C(=O)OCC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
PTGS2 P35354 7/20 0.58
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
ESR1 P03372 1/20 0.56
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
HMGB1 P09429 1/20 0.56
GGT1 P19440 1/20 0.56
PTGS1 P23219 1/20 0.56
BLM P54132 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.45

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
SCHEMBL4629655 0.86 CYP3A4 (0.68) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL5663469 0.84 ALDH1A1 (0.54) KDM4ETSHRALDH1A1HPGDESR1
SCHEMBL11985691 0.83 PTGS2 (0.68) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL9856486 0.83 HSD17B10 (0.65) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL1872604 0.82 TSHR (0.67) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL8587601 0.82 KDM4E (0.63) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL2780096 0.82 HSD17B10 (0.63) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL30186934 0.82 TSHR (0.67) HSD17B10KDM4ELMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL25260430 0.81 TSHR (0.65) HSD17B10KDM4ELMNACYP1A2CYP2C9
SCHEMBL7945823 0.81 HSD17B10 (0.61) HSD17B10KDM4ELMNACYP1A2CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-114286823-B Optically active 2-hydroxy tetrahydrothiophene pyridine derivative and preparation method and application thereof 天地恒一制药股份有限公司 2023-11-28 CN disclosed
CN-114286823-A Optically active 2-hydroxy tetrahydrothienopyridine derivative and preparation method and application thereof 天地恒一制药股份有限公司 2022-04-05 CN 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

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-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 HSD17B10 311/4885KDM4E 1415/4885LMNA 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.