SCHEMBL217161

SCHEMBL217161

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL216773 0.87 MAPT (0.32) TSHRMAPT
SCHEMBL16363997 0.84 TSHR (0.37) TSHRMAPT
SCHEMBL4605879 0.80 MEN1 (0.40) MEN1CYP3A4ALOX15KMT2A
SCHEMBL216623 0.79 ALOX15 (0.36) TSHRALOX15MAPT
SCHEMBL16378050 0.77 LPAR3 (0.34) MEN1CYP3A4ALOX15KMT2AMAPT
SCHEMBL28049092 0.76 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2A
SCHEMBL27176371 0.76 MEN1 (0.50) MEN1CYP3A4ALOX15KMT2A
SCHEMBL30098503 0.76 MEN1 (0.50) MEN1CYP3A4ALOX15KMT2A
SCHEMBL21596548 0.75 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2A
SCHEMBL16377873 0.74 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2A

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 TSHR 3815/4885MEN1 1171/4885CYP3A4 1173/4885

“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.