SCHEMBL215483

SCHEMBL215483

CC(C)CC(C)CCCC(C)(C)OCC(C)C=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL215363 0.86 CTSK (0.36) CTSKCYP3A4ALDH1A1LMNATDP1
SCHEMBL27959577 0.80 MAPK1 (0.32)
SCHEMBL215503 0.80 CYP3A4 (0.31) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL217214 0.78 CTSK (0.36) CTSK
SCHEMBL27826096 0.74 CYP3A4 (0.36) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL215629 0.73
SCHEMBL27959574 0.72 ALDH1A1 (0.34) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL22206798 0.72 LMNA (0.39) CTSKLMNA
SCHEMBL11864337 0.71 CTSK (0.33) CTSK
SCHEMBL11876407 0.71 CYP3A4 (0.33) CYP3A4MEN1ALOX15KMT2AALDH1A1

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 2 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

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 CTSK 4691/4885CYP3A4 1173/4885MEN1 1171/4885

“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.