SCHEMBL2776017

SCHEMBL2776017

CC(C)(C)OC(=O)COc1ccccc1C#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 2/20 0.63
HPGD P15428 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TP53 P04637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.55
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
MAOA P21397 1/20 0.48
HTR2B P41595 1/20 0.48
NOTUM Q6P988 1/20 0.47

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
SCHEMBL31068577 0.85 ALDH1A1 (0.46) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL29347077 0.85 ALDH1A1 (0.46) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL22656552 0.84 POLB (0.50) ALDH1A1TSHRHPGDSMN1; SMN2NPSR1
SCHEMBL7218028 0.83 ALDH1A1 (0.76) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL13665119 0.82 ALDH1A1 (0.47) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL13665112 0.82 HSD17B10 (0.51) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL13515793 0.82 ALDH1A1 (0.46) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL13665117 0.81 AAK1 (0.54) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL6213275 0.81 NPC1 (0.47) NPC1RAB9ATP53
SCHEMBL30188569 0.81 AAK1 (0.59) ALDH1A1TSHRHPGDSMN1; SMN2NPC1

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
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 ALDH1A1 693/4885TSHR 2452/4885HPGD 850/4885

“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.