SCHEMBL2019603

SCHEMBL2019603

C#CCOC(=O)C#CCO[C]=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35

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
SCHEMBL2828911 0.79 NPC1 (0.45) NPC1
SCHEMBL10010445 0.71
SCHEMBL1496 0.71
SCHEMBL7065026 0.69 GSTP1 (0.39) NPC1
SCHEMBL3203754 0.69
SCHEMBL1401583 0.64 NPC1 (0.48) NPC1
SCHEMBL291486 0.64 NPC1 (0.48) NPC1
SCHEMBL15583801 0.63 NPC1 (0.43) NPC1
SCHEMBL2241578 0.62
SCHEMBL291487 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221775-B2 Pyrrolin-2-ylamino compounds for combating animal pests BASF SE (DE) 2012-07-17 US disclosed
US-8211924-B2 1-(azolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests BASF SE (DE) 2012-07-03 US disclosed
EP-2346822-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-07-27 EP disclosed
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests BASF SE 2011-06-30 US disclosed
US-20100280078-A1 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests BASF SE (DE) 2010-11-04 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 (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-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests RXFP3, CBR3, ATL3 NPC1 1162/4885
US-20100280078-A1 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests NR0B1, NR0B2, NR2C2 NPC1 756/4885

“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.