SCHEMBL2380894

SCHEMBL2380894

CCCCCC1(C(F)(F)F)N=N1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
CES1 P23141 5/20 0.31
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5272722 0.89 TSHR (0.33) FAAHTSHRTHRBCES1CES2
SCHEMBL5279541 0.74
SCHEMBL5273940 0.73
SCHEMBL5285420 0.73 CES1 (0.31) FAAHTSHRTHRBCES1CES2
SCHEMBL20779744 0.71
SCHEMBL5284048 0.70 TSHR (0.30) TSHRTHRB
SCHEMBL15701560 0.68
SCHEMBL5279412 0.67
SCHEMBL24772486 0.67 FAAH (0.32) FAAHTSHRTHRBCES1CES2
Hexane SCHEMBL20877590 0.66 TSHR (0.58) FAAHTSHRTHRBCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159777-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS CELLMOSAIC INC (US) 2016-06-09 US claimed
US-20120322978-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS CELLMOSAIC, LLC 2012-12-20 US claimed
WO-2011109326-A2 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS HUANG YUMEI (US) 2011-09-09 WO claimed
WO-2013113117-A1 FLUORINATED PHOSPHONIUM IONIC SALTS LINKED TO CARBENE-PRECURSORS THE UNIVERSITY OF WESTERN ONTARIO (CA) 2013-08-08 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-20120322978-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS STUB1, PFN1, PFDN1 FAAH 1395/4885TSHR 1485/4885THRB 3325/4885
US-20160159777-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS PBDC1, RCSD1, STUB1 FAAH 1965/4885TSHR 2243/4885THRB 3524/4885

“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.