SCHEMBL5566174

SCHEMBL5566174

COC(C)OC.COc1ccc(C=O)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
CYP1A2 P05177 10/20 0.58
CYP1A1 P04798 9/20 0.58
CYP1B1 Q16678 9/20 0.58
TRIM24 O15164 1/20 0.53
TYR P14679 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
NFE2L2 Q16236 2/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL96291 0.89 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
Hydrochloric Acid SCHEMBL9456784 0.88 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
Formaldehyde SCHEMBL28854145 0.86 ALDH1A1 (0.92) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
Ethylene SCHEMBL4914414 0.86 ALDH1A1 (0.92) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
SCHEMBL3924348 0.84 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
SCHEMBL8356166 0.84 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
SCHEMBL2636326 0.83 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33MAPTL3MBTL1
SCHEMBL3376912 0.82 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24
SCHEMBL2636617 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2TRIM24TYRTRIM33
SCHEMBL3633730 0.81 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP1A1CYP1B1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529777-B1 Process and oxazolidine intermediate for the synthesis of taxanes INDENA SPA (IT) 2007-01-03 EP claimed
US-7053222-B2 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S.P.A. (IT) 2006-05-30 US claimed
EP-1495011-B1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA SPA (IT) 2005-12-28 EP claimed
US-20050049297-A1 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S. P. A. (IT) 2005-03-03 US claimed
EP-1495011-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA S.p.A. (IT) 2005-01-12 EP claimed
WO-2003087077-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N­ DEBENZOYLPACLITAXEL INDENA S.P.A. (IT) 2003-10-23 WO claimed
US-7053222-B2 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S.P.A. (IT) 2006-05-30 US disclosed
EP-1495011-B1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA SPA (IT) 2005-12-28 EP disclosed
US-20050049297-A1 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel INDENA S. P. A. (IT) 2005-03-03 US disclosed
EP-1495011-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N DEBENZOYLPACLITAXEL INDENA S.p.A. (IT) 2005-01-12 EP disclosed
WO-2003087077-A1 A SEMI-SYNTHETIC PROCESS FOR THE PREPARATION OF N­ DEBENZOYLPACLITAXEL INDENA S.P.A. (IT) 2003-10-23 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-20050049297-A1 Semi-synthetic process for the preparation of N-debenzoylpaclitaxel UGT2B7, UGT2B17, CYP3A7 ALDH1A1 824/4885CYP1A2 35/4885CYP1A1 46/4885

“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.