SCHEMBL6601552

SCHEMBL6601552

CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT3 P40763 1/20 0.37
HPGD P15428 1/20 0.37
FOLH1 Q04609 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35

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
SCHEMBL6601561 1.00 ALDH1A1 (0.38) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6601557 1.00 ALDH1A1 (0.38) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6602155 0.99 ALDH1A1 (0.38) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6602158 0.99 ALDH1A1 (0.38) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6602156 0.99 ALDH1A1 (0.38) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6603366 0.94 FOLH1 (0.38) ALDH1A1KMT2AFOLH1POLBMEN1
SCHEMBL6603378 0.94 FOLH1 (0.38) ALDH1A1KMT2AFOLH1POLBMEN1
SCHEMBL6603374 0.94 FOLH1 (0.38) ALDH1A1KMT2AFOLH1POLBMEN1
SCHEMBL6601055 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AHPGDKDM4EPOLB
SCHEMBL6602113 0.83 ELANE (0.43) CYP2C19SMN1; 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 10 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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO 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
US-5284865-A Antitumor and antileukemia agents FLORIDA STATE UNIVERSITY 1994-02-08 US 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 2220/4885KMT2A 574/4885CYP1A2 3263/4885
US-20020147335-A1 Taxanes having an alkyl substituted side-chain and pharmaceutical compositions containing them TOP2A, TOP2B, TUBB3 ALDH1A1 648/4885KMT2A 2652/4885CYP1A2 267/4885

“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.