SCHEMBL5370796

SCHEMBL5370796

CC(C)(C)OC(=O)CC(O)CC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.41
CTSK P43235 3/20 0.40
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPRC P08575 2/20 0.35
DUT P33316 1/20 0.35
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 3/20 0.34
LMNA P02545 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL3963389 1.00 TK1 (0.41) TK1CTSKCYP2C19HIF1AKDM4E
SCHEMBL10776041 0.84 TK1 (0.44) TK1CTSKALDH1A1LMNA
SCHEMBL9175373 0.84 TK1 (0.44) TK1CTSKALDH1A1LMNA
SCHEMBL10433900 0.83 TK1 (0.43) TK1CTSKCYP2C19HIF1ADUT
SCHEMBL9178224 0.83 TK1 (0.43) TK1CTSKCYP2C19HIF1ADUT
SCHEMBL3833368 0.83 TK1 (0.41) TK1CTSKCYP2C19HIF1AKDM4E
SCHEMBL5350935 0.83 TK1 (0.41) TK1CTSKCYP2C19HIF1AKDM4E
SCHEMBL5354077 0.79 TK1 (0.45) TK1CTSKALDH1A1ADRB2ADRB1
SCHEMBL3837132 0.79 TK1 (0.45) TK1CTSKALDH1A1ADRB2ADRB1
SCHEMBL2344498 0.79 ADRB2 (0.58) HIF1AALDH1A1TDP1ADRB2ADRB1

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-7301046-B2 Boronate esters BIOCON LIMITED (IN) 2007-11-27 US disclosed
US-20050154213-A1 Novel boronate esters BIOCON LIMITED (IN) 2005-07-14 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-20050154213-A1 Novel boronate esters HMGCR, BLVRB, COASY TK1 1388/4885CTSK 1041/4885CYP2C19 1369/4885

“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.