SCHEMBL216686

SCHEMBL216686

CC(C)CCCOCCCC=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL215747 0.94 HIF1A (0.36) HIF1ATSHRMAPTALDH1A1LMNA
SCHEMBL29950792 0.91 ALDH1A1 (0.32) HIF1ATSHRALDH1A1LMNATDP1
SCHEMBL2555836 0.91 HIF1A (0.38) HIF1ATSHRMAPTALDH1A1FAAH
SCHEMBL231303 0.81
SCHEMBL25700335 0.81 TDP1 (0.33) ALDH1A1LMNATDP1
SCHEMBL6545092 0.81 HIF1A (0.56) HIF1ATSHRMAPTALDH1A1FAAH
SCHEMBL1192955 0.81 LMNA (0.45) TSHRALDH1A1LMNATDP1
SCHEMBL2560261 0.80 TDP1 (0.34) ALDH1A1LMNATDP1
SCHEMBL1409410 0.79
SCHEMBL25468178 0.78 LMNA (0.43) TSHRALDH1A1LMNA

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 HIF1A 931/4885TSHR 3815/4885MAPT 4476/4885

“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.