SCHEMBL6366124

SCHEMBL6366124

COc1ccc(COC(=O)OC(=O)OCc2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MMP9 P14780 2/20 0.51
MMP1 P03956 1/20 0.51
LDHA P00338 1/20 0.50
FFAR1 O14842 1/20 0.50
MMP2 P08253 1/20 0.50
MMP12 P39900 1/20 0.50
ATM Q13315 1/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
P2RX4 Q99571 1/20 0.49
MAPT P10636 1/20 0.49
F2RL1 P55085 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
SCHEMBL292834 0.92 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL19514755 0.90 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL697621 0.89 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL19514752 0.88 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL11206253 0.87 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL19514750 0.85 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL22028109 0.85 LTA4H (0.58) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL13034049 0.85 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL697620 0.85 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL6644102 0.85 LTA4H (0.58) ALDH1A1HTTSMN1; SMN2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861537-B2 Tricyclic and tetracyclic taxane intermediates FLORIDA STATE UNIVERSITY (US) 2005-03-01 US disclosed
EP-0960881-B1 Synthesis of taxol and its derivatives UNIV FLORIDA STATE (US) 2003-04-23 EP disclosed
US-20030050485-A1 For the preparation of taxol and other tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY 2003-03-13 US disclosed
US-6433189-B2 Tricyclic and tetracyclic taxane intermediates FLORIDA STATE UNIVERSITY 2002-08-13 US disclosed
US-20010053857-A1 Tricyclic and tetracyclic taxane intermediates HOLTON ROBERT A (US) 2001-12-20 US disclosed
US-6278026-B1 USED IN SYNTHESIS OF TAXOL AND OTHER TRICYCLIC AND TETRACYCLIC TAXANES FLORIDA STATE UNIVERSITY 2001-08-21 US disclosed
EP-0710223-B1 SYNTHESIS OF TAXOL AND ITS DERIVATIVES UNIV FLORIDA STATE (US) 2000-06-14 EP disclosed
US-6005120-A INTERMEDIATE FOR USE IN THE PREPARATION OF TAXOL OR OTHER TRICYCLIC OR TETRACYCLIC TAXANES FLORIDA STATE UNIVERSITY (US) 1999-12-21 US disclosed
EP-0960881-A1 Synthesis of taxol and its derivatives FLORIDA STATE UNIVERSITY (US) 1999-12-01 EP disclosed
US-5760252-A Synthetic process for the preparation of tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1998-06-02 US disclosed
US-5637732-A Tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1997-06-10 US disclosed
US-5618952-A Synthetic process for the preparation of tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1997-04-08 US disclosed
US-5405972-A Synthetic process for the preparation of taxol and other tricyclic and tetracyclic taxanes FLORIDA STATE UNIVERSITY (US) 1995-04-11 US disclosed
WO-1995003265-A1 SYNTHESIS OF TAXOL AND ITS DERIVATIVES FLORIDA STATE UNIVERSITY (US) 1995-02-02 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 (2 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-20010053857-A1 Tricyclic and tetracyclic taxane intermediates TUBB, TYMS, TUBA1C ALDH1A1 2277/4885HTT 337/4885SMN1; SMN2 1948/4885
US-20030050485-A1 For the preparation of taxol and other tricyclic and tetracyclic taxanes TUBA1C, TUBB, TUBA1A ALDH1A1 3581/4885HTT 236/4885SMN1; SMN2 813/4885

“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.