SCHEMBL6461471

SCHEMBL6461471

CC(=CCCCc1ccccc1)CC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
MCL1 Q07820 1/20 0.38
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL6461467 1.00 LSS (0.40) LSSSIGMAR1MCL1HDAC3MAPK1
SCHEMBL9763000 0.80 LSS (0.44) LSSSIGMAR1HDAC3MAPK1ADRA1A
SCHEMBL9763004 0.80 LSS (0.44) LSSSIGMAR1HDAC3MAPK1ADRA1A
SCHEMBL6258245 0.77 TRPV1 (0.49) SIGMAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL13393571 0.74 LSS (0.52) LSSSIGMAR1HDAC3MAPK1ADRA1A
SCHEMBL4667862 0.71 HDAC3 (0.48) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL443151 0.71 HDAC3 (0.48) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1574137 0.71 HDAC3 (0.48) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL17732044 0.71 HDAC1 (0.44) SIGMAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL8624953 0.71 LSS (0.49) LSSHDAC3MAPK1ADRA1AHDAC4

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-20050148492-A1 Fragrance compounds QUEST INTERNATIONAL B.V. (NL) 2005-07-07 US disclosed
EP-1353901-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2003-10-22 EP disclosed
WO-2002059079-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2002-08-01 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-20050148492-A1 Fragrance compounds NISCH, HRH1, TRPA1 LSS 451/4885SIGMAR1 109/4885MCL1 3241/4885

“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.