SCHEMBL215539

SCHEMBL215539

CC(C)=CCCC1(C)OCC=CCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.30
LDHA P00338 1/20 0.30
CNR1 P21554 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CNR2 P34972 1/20 0.30
SLC6A3 Q01959 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
TRPV2 Q9Y5S1 1/20 0.30

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
SCHEMBL214786 0.78 ALDH1A1 (0.32) ALOX5PTGS1ALDH1A1KMT2A
SCHEMBL14825990 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL15824447 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL15824191 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL254213 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL15821715 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL15825682 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL15821713 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL15824189 0.72 KMT2A (0.55) ALDH1A1KMT2A
SCHEMBL9579444 0.70 KMT2A (0.36) ALOX5PTGS1ALDH1A1KMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514812-B1 Fragrance compositions and compounds GIVAUDAN SA (CH) 2018-10-03 EP disclosed
EP-2514812-A2 Fragrance compositions and compounds Givaudan Nederland Services B.V. (NL) 2012-10-24 EP disclosed
US-8088725-B2 Fragrance compositions and compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2012-01-03 US disclosed
US-20100132249-A1 Fragrance Compositions and Compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-06-03 US disclosed
EP-2118249-A2 FRAGRANCE COMPOSITIONS AND COMPOUNDS Givaudan Nederland Services B.V. (NL) 2009-11-18 EP disclosed
WO-2008092678-A2 FRAGRANCE COMPOSITIONS AND COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-08-07 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-20100132249-A1 Fragrance Compositions and Compounds H1-0, H1-10, H1-5 ALOX5 148/4885PTGS1 487/4885ALDH1A1 2290/4885

“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.