SCHEMBL4486331

SCHEMBL4486331

CCOCC([O])COCC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.31
THRB P10828 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
SCHEMBL4494700 0.89
SCHEMBL1818364 0.88
SCHEMBL2168845 0.80
SCHEMBL1736514 0.78
SCHEMBL5791100 0.75
SCHEMBL17013649 0.73 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL15292537 0.73 CYP3A4 (0.37) ALDH1A1THRB
SCHEMBL1297592 0.73
SCHEMBL7848246 0.73
SCHEMBL6130189 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872842-B2 Antileukemia and antitumor agents FLORIDA STATE UNIVERSITY (US) 2005-03-29 US claimed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US claimed
US-20030114419-A1 Taxane derivatives having a tricyclic or tetracyclic core; remarkable properties in vitro; valuable antileukemia, antitumor and anticarcinogenic agents; human cancer cell line comparable to that of taxol and taxotere FLORIDA STATE UNIVERSITY 2003-06-19 US claimed
US-20030055272-A1 Antileukemia and antitumor agents FLORIDA STATE UNIVERSITY 2003-03-20 US claimed
US-20030045531-A1 Antileukemia and antitumor agents FLORIDA STATE UNIVERSITY 2003-03-06 US claimed
EP-0681573-B1 C2 Taxane derivatives and pharmaceutical compositions containing them UNIV FLORIDA STATE (US) 2002-07-03 EP claimed
EP-0688212-B1 C9 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNIV FLORIDA STATE (US) 2002-06-12 EP claimed
US-20020058821-A1 C2 substituted taxanes FLORIDA STATE UNIVERSITY 2002-05-16 US claimed
US-20020002292-A1 Antitumor agents HOLTON ROBERT A (US) 2002-01-03 US claimed
EP-0690712-B1 TAXANES HAVING A PYRIDYL SUBSTITUTED SIDE-CHAIN UNIV FLORIDA STATE (US) 2001-11-28 EP claimed
EP-0681574-A1 C7 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1995-11-15 EP claimed
EP-0681573-A1 C2 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1995-11-15 EP claimed
EP-0679082-A1 C10 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FLORIDA STATE UNIVERSITY (US) 1995-11-02 EP claimed
EP-0668762-A1 BUTENYL-SUBSTITUTED TAXANES AND COMPOSITION FLORIDA STATE UNIVERSITY (US) 1995-08-30 EP claimed
WO-1994021252-A1 TAXANES HAVING A PYRIDYL SUBSTITUTED SIDE-CHAIN FLORIDA STATE UNIVERSITY (US) 1994-09-29 WO claimed
WO-1994020088-A1 C9 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1994-09-15 WO claimed
WO-1994017050-A1 C7 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1994-08-04 WO claimed
WO-1994017052-A1 C2 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1994-08-04 WO claimed
WO-1994015599-A1 C10 TAXANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FLORIDA STATE UNIVERSITY (US) 1994-07-21 WO claimed
WO-1994010996-A1 BUTENYL-SUBSTITUTED TAXANES AND COMPOSITION FLORIDA STATE UNIVERSITY (US) 1994-05-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030045531-A1 Antileukemia and antitumor agents MCL1, BCL3, BCL2L13 ALDH1A1 990/4885TSHR 3954/4885THRB 3545/4885
US-20030114419-A1 Taxane derivatives having a tricyclic or tetracyclic core; remarkable properties in vitro; valuable antileukemia, antitumor and anticarcinogenic agents; human cancer cell line comparable to that of taxol and taxotere MCL1, TOP2A, TOP2B ALDH1A1 2877/4885TSHR 3304/4885THRB 2947/4885
US-20020058821-A1 C2 substituted taxanes PARP2, MCL1, TOP2A ALDH1A1 2165/4885TSHR 4044/4885THRB 3894/4885
US-20020002292-A1 Antitumor agents TP53, MCL1, TOP2A ALDH1A1 407/4885TSHR 2769/4885THRB 3323/4885
US-20030055272-A1 Antileukemia and antitumor agents MCL1, BCL3, BCL9 ALDH1A1 1033/4885TSHR 3566/4885THRB 3717/4885

“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.