SCHEMBL6444975

SCHEMBL6444975

CC(C)(C)OCCCCCCl

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL300050 1.00 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL16001411 1.00 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL6447620 1.00 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL299797 0.97 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL6446862 0.97 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL1539183 0.89
SCHEMBL13538316 0.86 MAPK1 (0.35) ALDH1A1
SCHEMBL12361992 0.86 MAPK1 (0.35) ALDH1A1
SCHEMBL27240066 0.86 MAPK1 (0.35) ALDH1A1
SCHEMBL19193963 0.86 MAPK1 (0.35) ALDH1A1

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
US-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-09-04 US disclosed
US-6858679-B2 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION (US) 2005-02-22 US disclosed
EP-1028982-B1 COMPOSITIONS PROVIDING IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS AND PROCESSES FOR IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS FMC CORP (US) 2003-10-29 EP disclosed
US-20030153693-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions QUIRK RODERIC PAUL (US) 2003-08-14 US disclosed
US-6605564-B1 Anionic polymerization initiators and salt additives selected from sodium chloride, sodium iodide, potassium chloride, potassium t-butoxide, for increasing the efficiency of reactions between living polymer anions and electrophiles FMC CORPORATION 2003-08-12 US disclosed
US-6545103-B2 Living polymers FMC CORPORATION 2003-04-08 US disclosed
US-20020010082-A1 Compositions providing improved functionalization of terminal anions and processes for improved functionalization of terminal anions FMC CORPORATION 2002-01-24 US disclosed
EP-1028982-A1 COMPOSITIONS PROVIDING IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS AND PROCESSES FOR IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS FMC CORPORATION (US) 2000-08-23 EP disclosed
WO-1999025740-A1 COMPOSITIONS PROVIDING IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS AND PROCESSES FOR IMPROVED FUNCTIONALIZATION OF TERMINAL ANIONS FMC CORPORATION (US) 1999-05-27 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 (1 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-20140248263-A1 BISPHENOL COMPOUNDS AND METHODS FOR THEIR USE AR, SHBG, ESRRA TSHR 819/4885ALDH1A1 438/4885TDP1 1847/4885

“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.