SCHEMBL10017441

SCHEMBL10017441

CC[C@H]1OC(C)C(F)(F)C1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BCHE P06276 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ABCB1 P08183 7/20 0.35
▸ SLC43A1 O75387 1/20 0.35

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
SCHEMBL10048538 0.90 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL12973185 0.87 ALDH1A1 (0.48) GAALMNAALDH1A1TSHRKMT2A
SCHEMBL18521255 0.87 ALDH1A1 (0.48) GAALMNAALDH1A1TSHRKMT2A
SCHEMBL13607677 0.87 ALDH1A1 (0.48) GAALMNAALDH1A1TSHRKMT2A
SCHEMBL18510837 0.87 LMNA (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL10017435 0.87 LMNA (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL13170885 0.86 LGALS9 (0.38) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL18510829 0.86 LGALS9 (0.38) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL15849800 0.82 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA
SCHEMBL13848178 0.82 ALDH1A1 (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765933-B2 Asynthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2014-07-01 — — US disclosed
US-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES PHARMAESSENTIA CORP. (TW) 2012-10-11 — — US disclosed
US-8193339-B2 Synthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2012-06-05 — — 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-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES ATIC, DPYD, DUT LGALS9 4392/4885LGALS1 4680/4885LGALS3 4779/4885

“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.

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