SCHEMBL17210477

SCHEMBL17210477

C#CC(C)(O)CCCC(C)CCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL17210474 0.86 MEN1 (0.34) MEN1CYP3A4ALOX15KMT2A
SCHEMBL60500 0.85 MEN1 (0.53) MEN1CYP3A4ALOX15KMT2A
SCHEMBL15303583 0.85 MEN1 (0.53) MEN1CYP3A4ALOX15KMT2A
SCHEMBL16542652 0.85 MEN1 (0.53) MEN1CYP3A4ALOX15KMT2A
SCHEMBL15823842 0.85 MEN1 (0.53) MEN1CYP3A4ALOX15KMT2A
SCHEMBL4432004 0.85 MEN1 (0.53) MEN1CYP3A4ALOX15KMT2A
SCHEMBL12352190 0.85 MEN1 (0.53) MEN1CYP3A4ALOX15KMT2A
SCHEMBL679901 0.80 TSHR (0.39) TSHR
SCHEMBL2045378 0.79 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2A
SCHEMBL11759426 0.79 MEN1 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP claimed
CN-104704094-B Flavor and fragrance formulation (III) 帝斯曼知识产权资产管理有限公司 2020-06-23 CN disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 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-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) NISCH, TAS2R5, FDFT1 MEN1 1869/4885CYP3A4 243/4885ALOX15 178/4885

“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.