SCHEMBL8448704

SCHEMBL8448704

CC(=O)OCC1(COC(C)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 3/20 0.39
GALR3 O60755 2/20 0.39
RAB9A P51151 1/20 0.39
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
TSHR P16473 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

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
SCHEMBL18134200 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL30683844 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL7195368 0.88 LMNA (0.39) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL14681226 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL5648942 0.86 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL28826436 0.86 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL15725846 0.84 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL24920444 0.83 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10GAAGALR3
SCHEMBL5645134 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10GAASMN1; SMN2
SCHEMBL31196271 0.80 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10GALR3PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275180-A1 HYPERPOLARIZED 1-13C-1,1-BIS(ACETOXY(METHYL))-2,2'-CYCLOPROPANE AS METABOLIC MARKER FOR MR BRACCO IMAGING S.P.A. (IT) 2019-09-12 US disclosed
US-7271268-B1 Process for preparation of [1-(mercaptomethyl)cyclopropyl]acetic acid and related derivatives FORMOSA LABORATORIES INC. (TW) 2007-09-18 US disclosed
US-7271268-B1 Process for preparation of [1-(mercaptomethyl)cyclopropyl]acetic acid and related derivatives FORMOSA LABORATORIES INC. (TW) 2007-09-18 US disclosed
EP-0502690-B1 Cyclopropane derivative AJINOMOTO KK (JP) 1999-12-01 EP disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP 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-20190275180-A1 HYPERPOLARIZED 1-13C-1,1-BIS(ACETOXY(METHYL))-2,2'-CYCLOPROPANE AS METABOLIC MARKER FOR MR CYP11B1, CYC1, CYP11B2 ALDH1A1 801/4885LMNA 2737/4885HSD17B10 261/4885

“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.