SCHEMBL6601055

SCHEMBL6601055

CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)c2ccco2)[C@H]1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.40
ABL1 P00519 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
RIN1 Q13671 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL6601060 1.00 ALDH1A1 (0.44) ALDH1A1HPGDABL1F2MAPT
SCHEMBL6601062 1.00 ALDH1A1 (0.44) ALDH1A1HPGDABL1F2MAPT
SCHEMBL6601561 0.83 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL6601557 0.83 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL6601552 0.83 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL6602158 0.81 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL6602155 0.81 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL6602156 0.81 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL6601085 0.79 GAA (0.40) ALDH1A1HPGDTSHRKMT2AHSD17B10
SCHEMBL6602106 0.79 ELANE (0.43) TSHRNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20030187061-A1 Antitumor agnets; antileukemia agents MCL1, TP53, EWSR1 ALDH1A1 2220/4885HPGD 4413/4885ABL1 6/4885
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them TOP2A, TOP2B, TUBB3 ALDH1A1 648/4885HPGD 2312/4885ABL1 112/4885

“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.