SCHEMBL5354077

SCHEMBL5354077

COC(=O)C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.45
CTSK P43235 3/20 0.44
KCNN4 O15554 1/20 0.41
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
KCNA5 P22460 1/20 0.38
KIF11 P52732 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3837132 1.00 TK1 (0.45) TK1CTSKKCNN4ADRB2ADRB1
SCHEMBL29150824 0.87 TK1 (0.48) TK1CTSKKCNN4ADRB2ADRB1
SCHEMBL5829016 0.85 TK1 (0.46) TK1CTSKPOLBLMNAKMT2A
SCHEMBL4925573 0.84 TK1 (0.46) TK1CTSKKIF11LMNAALDH1A1
SCHEMBL4926228 0.84 TK1 (0.46) TK1CTSKKIF11LMNAALDH1A1
SCHEMBL4191209 0.84 TK1 (0.46) TK1CTSKKIF11LMNAALDH1A1
SCHEMBL9173106 0.82 TK1 (0.43) TK1CTSKKCNN4ADRB2ADRB1
SCHEMBL10463726 0.82 TK1 (0.43) TK1CTSKKCNN4ADRB2ADRB1
SCHEMBL3954890 0.81 TK1 (0.44) TK1CTSKKIF11LMNAKMT2A
SCHEMBL2131414 0.81 TK1 (0.44) TK1CTSKKIF11LMNAKMT2A

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-7238826-B2 Boronate esters BIOCON LIMITED (IN) 2007-07-03 US disclosed
US-20060040898-A1 Novel boronate esters BIOCON LIMITED (IN) 2006-02-23 US disclosed
EP-0244364-A2 Preparation of olefinic compounds SANDOZ AG (CH) 1987-11-04 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-20060040898-A1 Novel boronate esters HMGCR, BLVRB, COASY TK1 1347/4885CTSK 1006/4885KCNN4 2619/4885

“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.