SCHEMBL3924820

SCHEMBL3924820

CCCCOB(CCCCCC#N)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48

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
SCHEMBL8966216 0.81 THRB (0.42) TSHR
SCHEMBL8966752 0.79 ADRB2 (0.39) TSHR
SCHEMBL15312386 0.77 THRB (0.42) TSHR
SCHEMBL4274113 0.76 ANPEP (0.41) TSHR
SCHEMBL28191740 0.74 TSHR (0.44) TSHR
SCHEMBL29237155 0.74 TSHR (0.54) TSHR
SCHEMBL181158 0.73 TSHR (0.77) TSHR
Octane SCHEMBL6002112 0.73 TSHR (0.77) TSHR
Palmitonitrile SCHEMBL17183997 0.73 TSHR (0.77) TSHR
SCHEMBL11095447 0.73 TSHR (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286995-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES ARCHIMICA GMBH (DE) 2009-11-19 US disclosed
EP-2013220-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES Archimica GmbH (DE) 2009-01-14 EP disclosed
WO-2007121805-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES ARCHIMICA GMBH (DE) 2007-11-01 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-20090286995-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES BCAT1, BCAT2, SLC1A5 TSHR 2512/4885

“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.