SCHEMBL6151883

SCHEMBL6151883

COC(C)(C)O[C@@H]1C(=O)N(C(=O)OC(=O)c2ccccc2)[C@@H]1C=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6151882 1.00 ELANE (0.35) ELANETSHRALDH1A1HSD17B10TDP1
SCHEMBL7020601 0.82 ELANE (0.38) ELANEALDH1A1
SCHEMBL6150759 0.79 ELANE (0.31) ELANE
SCHEMBL3079101 0.69 ELANE (0.52) ELANETSHRALDH1A1KMT2A
SCHEMBL3075582 0.69 ELANE (0.52) ELANETSHRALDH1A1KMT2A
SCHEMBL3079099 0.69 ELANE (0.52) ELANETSHRALDH1A1KMT2A
SCHEMBL3076587 0.65 ELANE (0.51) ELANEKMT2A
SCHEMBL3076591 0.65 ELANE (0.51) ELANEKMT2A
SCHEMBL6860240 0.62 ELANE (0.47) ELANEALDH1A1
SCHEMBL22924627 0.62 TSHR (0.57) TSHRALDH1A1HSD17B10TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260222-B1 Pharmaceutical compositions containing new iso-butenyl substituted taxanes UNIV FLORIDA STATE (US) 2005-10-26 EP disclosed
US-6872842-B2 Antileukemia and antitumor agents FLORIDA STATE UNIVERSITY (US) 2005-03-29 US disclosed
US-6794523-B2 ANTICANCER AGENTS, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY 2004-09-21 US disclosed
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia FLORIDA STATE UNIVERSITY 2003-04-03 US disclosed
US-20030045531-A1 Antileukemia and antitumor agents FLORIDA STATE UNIVERSITY 2003-03-06 US disclosed
EP-1260222-A1 Butenyl-substituted taxanes and composition Florida State University (US) 2002-11-27 EP disclosed
US-6395895-B1 Butenyl substituted β-lactams FLORIDA STATE UNIVERSITY 2002-05-28 US disclosed
US-6018073-A Tricyclic taxanes having an alkoxy, alkenoxy or aryloxy substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY (US) 2000-01-25 US disclosed
US-5739362-A ANTILEUKEMIA, ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1998-04-14 US disclosed
US-5728850-A ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1998-03-17 US disclosed
EP-0668762-A4 BUTENYL-SUBSTITUTED TAXANES AND COMPOSITION. UNIV FLORIDA STATE (US) 1995-12-20 EP disclosed
EP-0668762-A1 BUTENYL-SUBSTITUTED TAXANES AND COMPOSITION FLORIDA STATE UNIVERSITY (US) 1995-08-30 EP disclosed
WO-1994010996-A1 BUTENYL-SUBSTITUTED TAXANES AND COMPOSITION FLORIDA STATE UNIVERSITY (US) 1994-05-26 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-20030045531-A1 Antileukemia and antitumor agents MCL1, BCL3, BCL2L13 ELANE 684/4885TSHR 3954/4885ALDH1A1 990/4885
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia MCL1, BCL3, TOP2A ELANE 671/4885TSHR 3453/4885ALDH1A1 932/4885

“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.