SCHEMBL216623

SCHEMBL216623

CCC(C)(CCC=C(C)C)OCCCC=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.36
MAPT P10636 1/20 0.33
TSHR P16473 3/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
GGPS1 O95749 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11136531 0.84 TSHR (0.36) ALOX15TSHR
SCHEMBL16363997 0.80 TSHR (0.37) MAPTTSHRHIF1AALDH1A1
SCHEMBL217161 0.79 TSHR (0.33) ALOX15MAPTTSHR
SCHEMBL214610 0.77 ALOX15 (0.36) ALOX15TSHRGGPS1ALDH1A1
SCHEMBL216773 0.76 MAPT (0.32) MAPTTSHR
SCHEMBL16482108 0.76 ALOX15 (0.40) ALOX15TSHRHIF1AEPAS1GGPS1
SCHEMBL216780 0.74 MAPT (0.33) MAPTTSHR
SCHEMBL216781 0.74 MAPT (0.33) MAPTTSHR
SCHEMBL17058709 0.73 ALOX15 (0.44) ALOX15TSHRHIF1AEPAS1ALDH1A1
SCHEMBL3749023 0.73 ALOX15 (0.45) ALOX15TSHRHIF1AEPAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX15 355/4885MAPT 4476/4885TSHR 3815/4885

“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.