SCHEMBL6602540

SCHEMBL6602540

CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)C)[C@H]1C1CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL6602543 1.00 CYP2D6 (0.31) CYP2D6ALDH1A1GPR119
SCHEMBL6602547 1.00 CYP2D6 (0.31) CYP2D6ALDH1A1GPR119
SCHEMBL6599991 0.94 NPSR1 (0.34) ALDH1A1
SCHEMBL6600000 0.94 NPSR1 (0.34) ALDH1A1
SCHEMBL6599995 0.94 NPSR1 (0.34) ALDH1A1
SCHEMBL6858805 0.86 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6600360 0.86 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6600364 0.86 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6602867 0.86 SMN1; SMN2 (0.38) ALDH1A1GPR119
SCHEMBL6602859 0.86 SMN1; SMN2 (0.38) ALDH1A1GPR119

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
US-6794523-B2 ANTICANCER AGENTS, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY 2004-09-21 US disclosed
EP-0667772-B9 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNIV FLORIDA STATE (US) 2004-08-04 EP disclosed
US-20030187061-A1 Antitumor agnets; antileukemia agents FLORIDA STATE UNIVERSITY 2003-10-02 US disclosed
EP-0667772-B1 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNIV FLORIDA STATE (US) 2003-05-14 EP disclosed
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia FLORIDA STATE UNIVERSITY 2003-04-03 US disclosed
US-6521660-B2 Anticancer, antitumor agents FLORIDA STATE UNIVERSITY 2003-02-18 US disclosed
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY 2002-10-10 US disclosed
US-6335362-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR LEUKEMIA FLORIDA STATE UNIVERSITY 2002-01-01 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
EP-0667772-A4 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. UNIV FLORIDA STATE (US) 1995-12-20 EP disclosed
EP-0667772-A1 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FLORIDA STATE UNIVERSITY (US) 1995-08-23 EP disclosed
WO-1994010997-A1 TAXANES HAVING AN ALKYL SUBSTITUTED SIDE-CHAIN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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 (3 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-20030065200-A1 Anticancer agents, antitumor agents; leukemia MCL1, BCL3, TOP2A CYP2D6 3724/4885ALDH1A1 932/4885GPR119 3598/4885
US-20030187061-A1 Antitumor agnets; antileukemia agents MCL1, TP53, EWSR1 CYP2D6 3360/4885ALDH1A1 2220/4885GPR119 3291/4885
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them TOP2A, TOP2B, TUBB3 CYP2D6 172/4885ALDH1A1 648/4885GPR119 2537/4885

“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.