SCHEMBL1899254

SCHEMBL1899254

C=CC(=O)C#C[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 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
SCHEMBL9301946 0.73
SCHEMBL9301942 0.73
SCHEMBL29037143 0.70
SCHEMBL440594 0.70
SCHEMBL9263272 0.69
SCHEMBL11074881 0.69
SCHEMBL12209761 0.69 ALDH1A1 (0.31) ALDH1A1TP53TSHR
SCHEMBL6220957 0.67
SCHEMBL1285864 0.67
SCHEMBL1663629 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US disclosed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US disclosed
EP-2331093-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP disclosed
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-26 US disclosed
WO-2010025272-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-04 WO disclosed
WO-2009105123-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-27 WO disclosed
WO-2008103916-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2008-08-28 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-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 ALDH1A1 1989/4885TP53 252/4885TSHR 4836/4885
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER BDNF, NGF, NTRK2 ALDH1A1 3944/4885TP53 1808/4885TSHR 3903/4885

“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.