SCHEMBL16465243

SCHEMBL16465243

C=CC(C)(CCCC(C)CCC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CTSK P43235 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16463642 0.89 CYP3A4 (0.38) CYP3A4ALOX15MEN1KMT2AGAA
SCHEMBL8156416 0.84 MEN1 (0.45) CYP3A4ALOX15MEN1KMT2AGAA
SCHEMBL9709450 0.81 MEN1 (0.48) CYP3A4ALOX15MEN1KMT2APTPN1
SCHEMBL17208400 0.81 CYP3A4 (0.45) CYP3A4ALOX15MEN1KMT2AALDH1A1
SCHEMBL16481093 0.80 MEN1 (0.41) CYP3A4ALOX15MEN1KMT2AACE2
SCHEMBL16464488 0.78 GAA (0.37) CYP3A4ALOX15MEN1KMT2AGAA
SCHEMBL16463696 0.76 GAA (0.33) GAATRPC6
SCHEMBL9017168 0.75 PTPN1 (0.54) CYP3A4ALOX15MEN1KMT2APTPN1
SCHEMBL9017162 0.75 PTPN1 (0.54) CYP3A4ALOX15MEN1KMT2APTPN1
SCHEMBL16465718 0.75 GAA (0.33) GAATRPC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2904080-B1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS BV (NL) 2018-12-12 EP disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 US disclosed
EP-2904080-A2 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP Assets B.V. (NL) 2015-08-12 EP disclosed
WO-2014056851-A2 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2014-04-17 WO 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 CYP3A4 243/4885ALOX15 178/4885MEN1 1869/4885

“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.