SCHEMBL17833869

SCHEMBL17833869

O=CCOCCOCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
TSHR P16473 1/20 0.35
CTH P32929 1/20 0.35
CBS P35520 1/20 0.35
THPO P40225 1/20 0.35
THRB P10828 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL22771248 0.98 HSD17B10 (0.35) PTGS1TSHRCTHCBSTHPO
SCHEMBL2829186 0.87
SCHEMBL23733923 0.87 CYP2C19 (0.42) PTGS1TSHRCTHCBSTHPO
SCHEMBL45305 0.82 TSHR (0.47) PTGS1TSHRCTHCBSTHPO
SCHEMBL23733934 0.80 CYP2C19 (0.38) THRBEPHX2CYP2C19BLMHSD17B10
SCHEMBL12666923 0.79 CYP2C19 (0.38) PTGS1TSHRCTHCBSTHPO
SCHEMBL22445194 0.79 LMNA (0.41) TSHRBLMPMP22HSD17B10LMNA
SCHEMBL2551593 0.79 LMNA (0.41) TSHRBLMPMP22HSD17B10LMNA
SCHEMBL30411802 0.79 LMNA (0.41) TSHRBLMPMP22HSD17B10LMNA
SCHEMBL6526724 0.79 TDP1 (0.42) PTGS1TSHRCTHCBSTHPO

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-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-9808011-B2 Pentacyclic triterpene compounds and uses thereof BIOVECTRA INC. (CA) 2017-11-07 US disclosed
US-9808011-B2 Pentacyclic triterpene compounds and uses thereof BIOVECTRA INC. (CA) 2017-11-07 US disclosed
US-20160165892-A1 PENTACYCLIC TRITERPENE COMPOUNDS AND USES THEREOF AGILENT TECHNOLOGIES, INC. 2016-06-16 US disclosed
US-20160165892-A1 PENTACYCLIC TRITERPENE COMPOUNDS AND USES THEREOF AGILENT TECHNOLOGIES, INC. 2016-06-16 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-20160165892-A1 PENTACYCLIC TRITERPENE COMPOUNDS AND USES THEREOF GGPS1, LSS, ERG28 PTGS1 371/4885TSHR 3279/4885CTH 2796/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 PTGS1 2912/4885TSHR 27/4885CTH 2507/4885

“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.