SCHEMBL6651639

SCHEMBL6651639

COc1ccc(N2C(=O)C(OC(C)=O)C2c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD11B1 P28845 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
P2RX3 P56373 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
ELANE P08246 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
STING1 Q86WV6 1/20 0.44

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
SCHEMBL8125732 1.00 SOAT1 (0.53) SOAT1SMN1; SMN2ESR1ESR2HSD11B1
SCHEMBL6651637 1.00 SOAT1 (0.53) SOAT1SMN1; SMN2ESR1ESR2HSD11B1
SCHEMBL14440738 0.83 ALDH1A1 (0.53) SOAT1SMN1; SMN2HSD11B1P2RX3ALDH1A1
SCHEMBL5448047 0.83 ALDH1A1 (0.53) SOAT1SMN1; SMN2HSD11B1P2RX3ALDH1A1
SCHEMBL4172908 0.83 MEN1 (0.53) SOAT1SMN1; SMN2HSD11B1P2RX3ALDH1A1
SCHEMBL4172905 0.83 MEN1 (0.53) SOAT1SMN1; SMN2HSD11B1P2RX3ALDH1A1
SCHEMBL4172914 0.83 MEN1 (0.53) SOAT1SMN1; SMN2HSD11B1P2RX3ALDH1A1
SCHEMBL15841483 0.83 SMN1; SMN2 (0.47) SOAT1SMN1; SMN2ESR1ESR2HSD11B1
SCHEMBL9280098 0.83 ESR1 (0.69) SOAT1SMN1; SMN2ESR1ESR2HSD11B1
SCHEMBL4168315 0.82 SMN1; SMN2 (0.43) SOAT1SMN1; SMN2HSD11B1L3MBTL1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552041-B1 Enzymatic processes for resolution of enantiomeric mixtures of compounds useful as intermediates in the preparation of taxanes SQUIBB & SONS INC (US) 2000-08-30 EP claimed
US-5567614-A ANTICANCER AGENTS E.R. SQUIBB & SONS, INC. (US) 1996-10-22 US claimed
EP-1001036-B1 Enzymatic processes for resolution of enantiomeric mixtures of compounds useful as intermediates in the preparation of taxanes SQUIBB & SONS INC (US) 2004-10-20 EP disclosed
US-20010037020-A1 Method for preparation of taxol HOLTON ROBERT H (US) 2001-11-01 US disclosed
EP-0552041-B1 Enzymatic processes for resolution of enantiomeric mixtures of compounds useful as intermediates in the preparation of taxanes SQUIBB & SONS INC (US) 2000-08-30 EP disclosed
EP-1001036-A2 Enzymatic processes for resolution of enantiomeric mixtures of compounds useful as intermediates in the preparation of taxanes E.R. Squibb & Sons, Inc. (US) 2000-05-17 EP disclosed
US-6008347-A N-substituted 2-azetidinones BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-28 US disclosed
US-5811292-A CONTACTING MIXTURE OF ENANTIOMERS WITH VINYL ACETATE AND WITH LIPASE ENZYME WHICH CATALYZES STEREOSPECIFIC ESTERIFICATION OF MIXTURE E. R. SQUIBB & SONS, INC. (US) 1998-09-22 US disclosed
EP-0400971-B1 Method for preparation of taxol UNIV FLORIDA STATE (US) 1998-07-29 EP disclosed
US-5574156-A N-CARBONYL AZETIDIN-2-ONES FLORIDA STATE UNIVERSITY (US) 1996-11-12 US disclosed
US-5567614-A ANTICANCER AGENTS E.R. SQUIBB & SONS, INC. (US) 1996-10-22 US disclosed
EP-0627418-A1 N-subtituted 2-azetidinones and processes for the production of N-unsubstituted 2-azetidinones therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-07 EP disclosed
US-5336785-A Reacting a beta-lactam with an alcohol to form a taxol intermediate FLORIDA STATE UNIVERSITY (US) 1994-08-09 US disclosed
EP-0582469-A2 Process for preparing taxol-type compound from beta-lactam precursors WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1994-02-09 EP disclosed
EP-0552041-A2 Enzymatic processes for resolution of enantiomeric mixtures of compounds useful as intermediates in the preparation of taxanes E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-5175315-A Reacting with alcohol in presence of altivating agent FLORIDA STATE UNIVERSITY (US) 1992-12-29 US disclosed
US-5136060-A Reacting with alcohol FLORIDA STATE UNIVERSITY (US) 1992-08-04 US disclosed
EP-0428376-A1 Method for preparation of taxol using an oxazinone FLORIDA STATE UNIVERSITY (US) 1991-05-22 EP disclosed
US-5015744-A Esterification of an alcohol with an oxazinone FLORIDA STATE UNIVERSITY (US) 1991-05-14 US disclosed
EP-0400971-A2 Method for preparation of taxol FLORIDA STATE UNIVERSITY (US) 1990-12-05 EP 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-20010037020-A1 Method for preparation of taxol TUBA1A, TUBB1, TOP1 SOAT1 687/4885SMN1; SMN2 784/4885ESR1 2218/4885

“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.