SCHEMBL215503

SCHEMBL215503

CC(C)CC(C)CCCC(C)(C)OCCCC=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HIF1A Q16665 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
SCHEMBL217042 0.86 MAPT (0.32) CYP3A4MAPTALDH1A1LMNATDP1
SCHEMBL215483 0.80 CTSK (0.32) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL11876407 0.80 CYP3A4 (0.33) CYP3A4MEN1ALOX15KMT2AMAPT
SCHEMBL12526532 0.77 HIF1A (0.35) MAPTHIF1A
SCHEMBL216659 0.76
SCHEMBL1784324 0.76 HIF1A (0.48) MAPTALDH1A1LMNAHIF1A
SCHEMBL217813 0.75 TSHR (0.48) MAPTALDH1A1HIF1A
SCHEMBL1782964 0.74 HIF1A (0.46) ALDH1A1LMNAHIF1A
SCHEMBL18678961 0.74 ALDH1A1 (0.36) CYP3A4ALDH1A1LMNATDP1
SCHEMBL216773 0.74 MAPT (0.32) MAPT

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 CYP3A4 1173/4885MEN1 1171/4885ALOX15 355/4885

“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.