SCHEMBL28946201

SCHEMBL28946201

C=CC(=O)OCCOP(=O)(OC)OCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 3/20 0.45
CYP3A4 P08684 4/20 0.44
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL3280860 0.95 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3280939 0.91 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11663702 0.91 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3062836 0.91 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26277100 0.88 ACHE (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13716975 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13716814 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL40904 0.84 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11663725 0.83 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28886835 0.83 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A

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-20260109865-A1 WATER-BORNE COATING COMPOSITION AXALTA COATING SYSTEMS IP CO., LLC (US) 2026-04-23 US claimed
CN-110383530-B Binder composition, slurry composition, and nonaqueous secondary battery 日本瑞翁株式会社 2022-12-27 CN 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-20260109865-A1 WATER-BORNE COATING COMPOSITION GLRA1, EGLN1, ADH1C TSHR 1925/4885HPGD 1890/4885ALDH1A1 42/4885

“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.