SCHEMBL7001670

SCHEMBL7001670

CC[C@H](O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL7001666 1.00 TSHR (0.31) TSHR
SCHEMBL3806069 0.80
SCHEMBL14365667 0.74 TSHR (0.30) TSHR
SCHEMBL16709051 0.74 TSHR (0.30) TSHR
SCHEMBL2070144 0.74
SCHEMBL16796805 0.74
SCHEMBL7002111 0.73
SCHEMBL16796702 0.71
SCHEMBL3836578 0.71
SCHEMBL3837587 0.71

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-20030220503-A1 Hydroxylation, carboxylation, cyclization, esterification, epoxidation, etherification SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-27 US disclosed
US-6605726-B1 Method for producing epothilone B and derivatives, and intermediate products for this method SCHERING AG (DE) 2003-08-12 US disclosed
EP-1121364-B1 METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES THEREOF SCHERING AG (DE) 2003-01-08 EP disclosed
EP-1121364-A1 METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES, AND INTERMEDIATE PRODUCTS FOR THIS METHOD Schering Aktiengesellschaft (DE) 2001-08-08 EP disclosed
WO-2000023452-A1 METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES, AND INTERMEDIATE PRODUCTS FOR THIS METHOD SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-27 WO 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-20030220503-A1 Hydroxylation, carboxylation, cyclization, esterification, epoxidation, etherification CYP4A11, CYP4B1, CYP4F11 TSHR 2602/4885

“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.