SCHEMBL16464488

SCHEMBL16464488

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TRPC6 Q9Y210 1/20 0.34
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8156416 0.83 MEN1 (0.45) GAATRPC6MEN1CYP3A4ALOX15
SCHEMBL16463642 0.79 CYP3A4 (0.38) GAATRPC6MEN1CYP3A4ALOX15
SCHEMBL17208405 0.78 MEN1 (0.31) MEN1CYP3A4ALOX15KMT2A
SCHEMBL16465243 0.78 CYP3A4 (0.41) GAATRPC6MEN1CYP3A4ALOX15
SCHEMBL16481092 0.77 TDP1 (0.32)
SCHEMBL9017164 0.77 GAA (0.39) GAATRPC6
SCHEMBL10978626 0.76 GAA (0.34) GAATRPC6
SCHEMBL17477829 0.76 GAA (0.34) GAATRPC6
SCHEMBL10778866 0.75 GAA (0.39) GAATRPC6MEN1CYP3A4KMT2A
SCHEMBL9599728 0.75 GAA (0.39) GAATRPC6CYP3A4ALOX15

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
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
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 GAA 709/4885TRPC6 1380/4885MEN1 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.