SCHEMBL77068

SCHEMBL77068

O=COCCCC(=O)OCCOCC(COCCOC(=O)CCCC(=O)O)(COCCOC(=O)CCCC(=O)O)COCCOC(=O)CCCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.34
DGKA P23743 1/20 0.33
CASP6 P55212 1/20 0.32
SLC22A6 Q4U2R8 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
SCHEMBL10005252 0.88 TSHR (0.44) NPC1TSHRTHRBDGKACASP6
SCHEMBL26751170 0.83 NPC1 (0.41) NPC1TSHRDGKACASP6SLC22A6
SCHEMBL16214300 0.78 THRB (0.34) THRB
SCHEMBL14701136 0.78 THRB (0.34) THRB
SCHEMBL18828855 0.78 DGKA (0.50) NPC1TSHRDGKASLC22A6
Ammonia Solution, Strong SCHEMBL27661104 0.78 DGKA (0.46) NPC1TSHRDGKACASP6SLC22A6
SCHEMBL18828975 0.78 DGKA (0.50) NPC1TSHRDGKASLC22A6
SCHEMBL6377936 0.76 NPC1 (0.38) NPC1TSHRTHRBDGKACASP6
SCHEMBL1389328 0.76 TSHR (0.52) NPC1TSHRTHRBDGKACASP6
SCHEMBL2285951 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129445-B2 Moisture activated latent curing adhesive or sealant ETHICON, INC. (US) 2012-03-06 US disclosed
US-20080039548-A1 Moisture activated latent curing adhesive or sealant ETHICON, INC. 2008-02-14 US 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-20080039548-A1 Moisture activated latent curing adhesive or sealant ICAM1, EHMT1, CDH1 NPC1 4842/4885TSHR 4861/4885THRB 4722/4885

“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.