SCHEMBL6601571

SCHEMBL6601571

CCOC(=O)N1C(=O)[C@H](O[Si](CC)(CC)CC)[C@@H]1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
TSHR P16473 5/20 0.40
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR1 P32246 1/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6601578 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6601584 1.00 ALDH1A1 (0.40) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6858805 0.93 ALDH1A1 (0.34) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6600364 0.93 ALDH1A1 (0.34) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6600360 0.93 ALDH1A1 (0.34) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6605458 0.90 ALDH1A1 (0.32) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6605465 0.90 ALDH1A1 (0.32) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6605460 0.90 ALDH1A1 (0.32) ALDH1A1TSHRTHRBATML3MBTL1
SCHEMBL6600701 0.89 SMN1; SMN2 (0.35) ALDH1A1TSHRKMT2ALMNA
SCHEMBL6600698 0.89 SMN1; SMN2 (0.35) ALDH1A1TSHRKMT2ALMNA

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 ALDH1A1 932/4885TSHR 3453/4885THRB 3866/4885
US-20030187061-A1 Antitumor agnets; antileukemia agents MCL1, TP53, EWSR1 ALDH1A1 2220/4885TSHR 2790/4885THRB 3721/4885
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them TOP2A, TOP2B, TUBB3 ALDH1A1 648/4885TSHR 3339/4885THRB 2556/4885

“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.