SCHEMBL6223748

SCHEMBL6223748

CC(C)(C)C(=O)OC[C@H]1O[C@H](OCCCCCC(=O)O)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ F11 P03951 2/20 0.35
▸ CA2 P00918 3/20 0.35
▸ ELANE P08246 1/20 0.34
▸ HPSE Q9Y251 8/20 0.33
▸ FGF1 P05230 6/20 0.33
▸ FGF2 P09038 6/20 0.33
▸ ANTXR2 P58335 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ VEGFA P15692 3/20 0.33
▸ TLR4 O00206 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
SCHEMBL6223743 1.00 CYP2D6 (0.36) CYP2D6THRBHSD17B10F11CA2
SCHEMBL6218235 0.83 CYP2D6 (0.40) CYP2D6THRBHSD17B10F11CA2
SCHEMBL6216706 0.83 CYP2D6 (0.40) CYP2D6THRBHSD17B10F11CA2
SCHEMBL6216705 0.83 CYP2D6 (0.40) CYP2D6THRBHSD17B10F11CA2
SCHEMBL6218238 0.83 CYP2D6 (0.40) CYP2D6THRBHSD17B10F11CA2
SCHEMBL6218293 0.82 CYP2D6 (0.55) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL27055962 0.82 CYP2D6 (0.55) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL22201720 0.82 CYP2D6 (0.55) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL6218292 0.82 CYP2D6 (0.55) CYP2D6THRBHSD17B10CA2CA12
SCHEMBL6220367 0.82 CYP2D6 (0.35) CYP2D6THRBHSD17B10F11CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831164-B2 Generation of peracylated 1-O-glycosides; obtain chemical intermediate, react with alkylating agent, heat and recover product SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-14 — — US claimed
EP-1404691-B1 METHOD FOR PRODUCING PERACYLATED 1-O-GLYCOSIDES SCHERING AG (DE) 2005-03-09 — — EP disclosed
US-6831164-B2 Generation of peracylated 1-O-glycosides; obtain chemical intermediate, react with alkylating agent, heat and recover product SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-14 — — US disclosed
US-20030069402-A1 Process for the production of peracylated 1-0-glycosides SCHERING AG (DE) 2003-04-10 — — 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-20030069402-A1 Process for the production of peracylated 1-0-glycosides B3GNT2, UGT8, UGGT1 CYP2D6 974/4885THRB 1204/4885HSD17B10 106/4885

“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.

Send feedback