SCHEMBL7071668

SCHEMBL7071668

COC(=O)C(C)(C)CCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BACE1 P56817 1/20 0.30
PPARA Q07869 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
SCHEMBL31626072 0.95 CYP4F2 (0.37) DUTCYP4F2CYP4A11
SCHEMBL17891871 0.83 CYP4F2 (0.54) DUTCYP4F2CYP4A11PPARA
SCHEMBL15863148 0.82 DUT (0.37) DUTPPARA
SCHEMBL769048 0.78 DGAT1 (0.37) BACE1
SCHEMBL30724478 0.78 CYP4F2 (0.59) DUTCYP4F2CYP4A11
SCHEMBL2139741 0.78 CYP4F2 (0.59) DUTCYP4F2CYP4A11
SCHEMBL13355267 0.77 CYP4F2 (0.40) CYP4F2CYP4A11PPARA
SCHEMBL6258518 0.76 CYP4F2 (0.39) CYP4F2CYP4A11PPARA
SCHEMBL31581201 0.76 POLB (0.35) DUT
SCHEMBL11635954 0.75 TSHR (0.50) DUT

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-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

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 DUT 2811/4885CYP4F2 13/4885CYP4A11 1/4885

“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.