SCHEMBL3406772

SCHEMBL3406772

C1COC1.CCCC(CO)(CO)CO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
Butane SCHEMBL28537341 0.98
SCHEMBL3410669 0.86 ALDH1A1 (0.32)
SCHEMBL3411605 0.84 SMN1; SMN2 (0.35) TSHR
SCHEMBL39090 0.84 TSHR (0.37) TSHR
SCHEMBL3407541 0.82 LMNA (0.37) TSHR
SCHEMBL3408846 0.82 LMNA (0.37) TSHR
SCHEMBL3410810 0.82 LMNA (0.37) TSHR
SCHEMBL4608612 0.79
SCHEMBL360869 0.79 TSHR (0.33) TSHR
SCHEMBL3406769 0.78 TSHR (0.43) TSHR

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-2205203-B1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2013-01-23 EP claimed
US-8258189-B2 Compounds prepared by adding an oxetane derivative to an alcohol CECALC (FR) 2012-09-04 US claimed
US-20100216894-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2010-08-26 US claimed
EP-2205203-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2010-07-14 EP claimed
WO-2009050405-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2009-04-23 WO claimed
EP-2205203-B1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2013-01-23 EP disclosed
US-8258189-B2 Compounds prepared by adding an oxetane derivative to an alcohol CECALC (FR) 2012-09-04 US disclosed
US-20100216894-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL CECALC (FR) 2010-08-26 US disclosed
EP-2205203-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2010-07-14 EP disclosed
WO-2009050405-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2009-04-23 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-20100216894-A1 NOVEL COMPOUNDS PREPARED BY ADDING AN OXETANE DERIVATIVE TO AN ALCOHOL ADH1A, ADH5, ADH1C TSHR 4196/4885

“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.