SCHEMBL29317371

SCHEMBL29317371

Cc1cc(C(=O)OCCC(=O)OC(C)(C)C)cc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
SERPINE1 P05121 5/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL29317277 0.84 MEN1 (0.45) ESR1SERPINE1CA12CA1CA2
SCHEMBL23914471 0.82 SERPINE1 (0.62) ESR1SERPINE1
SCHEMBL29317372 0.79 ESR1 (0.50) ESR1SERPINE1CA12CA1CA2
SCHEMBL23914472 0.78 SLC29A1 (0.56)
SCHEMBL1189511 0.75 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL27789709 0.74 SLC7A5 (0.48)
SCHEMBL23387400 0.72 ESR1 (0.47) ESR1
SCHEMBL28785734 0.71 ESR1 (0.77) ESR1
SCHEMBL25432720 0.71 LMNA (0.51) ESR1
SCHEMBL14097158 0.70 ESR1 (0.55) ESR1SERPINE1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239834-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS FUJIMOTO CHEMICALS CO., LTD., (JP) 2024-07-18 US disclosed
US-20240239833-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS FUJIMOTO CHEMICALS CO., LTD., (JP) 2024-07-18 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 (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-20240239834-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS ROS1, POLN, RNMT ESR1 2466/4885SERPINE1 4656/4885CA12 4725/4885
US-20240239833-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS ROS1, POLN, RNMT ESR1 2466/4885SERPINE1 4656/4885CA12 4725/4885

“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.