SCHEMBL6599995

SCHEMBL6599995

CC[Si](CC)(CC)OC1C(=O)N(C(=O)OC(C)C)C1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
OPRK1 P41145 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL6599991 1.00 NPSR1 (0.34) NPSR1OPRK1ALDH1A1TSHRHSD17B10
SCHEMBL6600000 1.00 NPSR1 (0.34) NPSR1OPRK1ALDH1A1TSHRHSD17B10
SCHEMBL6602540 0.94 CYP2D6 (0.31) ALDH1A1
SCHEMBL6602543 0.94 CYP2D6 (0.31) ALDH1A1
SCHEMBL6602547 0.94 CYP2D6 (0.31) ALDH1A1
SCHEMBL6601578 0.88 ALDH1A1 (0.40) NPSR1OPRK1ALDH1A1TSHR
SCHEMBL6601584 0.88 ALDH1A1 (0.40) NPSR1OPRK1ALDH1A1TSHR
SCHEMBL6601571 0.88 ALDH1A1 (0.40) NPSR1OPRK1ALDH1A1TSHR
SCHEMBL6603388 0.87 RAB9A (0.36) ALDH1A1TSHR
SCHEMBL6603393 0.87 RAB9A (0.36) ALDH1A1TSHR

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 NPSR1 4199/4885OPRK1 3486/4885ALDH1A1 932/4885
US-20030187061-A1 Antitumor agnets; antileukemia agents MCL1, TP53, EWSR1 NPSR1 2717/4885OPRK1 3586/4885ALDH1A1 2220/4885
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them TOP2A, TOP2B, TUBB3 NPSR1 3091/4885OPRK1 1334/4885ALDH1A1 648/4885

“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.