SCHEMBL4104147

SCHEMBL4104147

CCCCCCCCCC(C)(C(C)=O)C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.44
CES2 O00748 3/20 0.41
FAAH O00519 7/20 0.39
CES1 P23141 5/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FDPS P14324 4/20 0.38

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
SCHEMBL23501398 0.86 FAAH (0.52) CES2FAAHCES1MEN1CYP1A2
SCHEMBL8637200 0.83 GGPS1 (0.47) GGPS1CES2MEN1KMT2AHSD17B10
SCHEMBL27347514 0.81 GGPS1 (0.43) GGPS1CES2MEN1KMT2AHSD17B10
SCHEMBL11310630 0.81 FFAR1 (0.31)
SCHEMBL6048466 0.78 CES1 (0.39) GGPS1CES2CES1FDPS
SCHEMBL19133167 0.77 CES2 (0.45) GGPS1CES2FAAHCES1MEN1
SCHEMBL8895992 0.77 CES2 (0.45) GGPS1CES2FAAHCES1MEN1
SCHEMBL13267820 0.77 CES2 (0.45) GGPS1CES2FAAHCES1MEN1
SCHEMBL14338625 0.75 ALDH1A1 (0.38)
SCHEMBL25058848 0.75 CES2 (0.44) GGPS1CES2FAAHCES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585362-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2017-03-07 US disclosed
US-20160286753-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2016-10-06 US disclosed
US-9447364-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2016-09-20 US disclosed
US-20150247109-A1 FRAGRANCE COMPOUNDS Givaudan, S.A. (CH) 2015-09-03 US disclosed
US-9057041-B2 Fragrance compounds Givaudan, S.A. (CH) 2015-06-16 US disclosed
US-20140031270-A1 Fragrance Compounds GIVAUDAN S.A. (CH) 2014-01-30 US disclosed
US-8575386-B2 Fragrance compounds GIVAUDAN S.A. (CH) 2013-11-05 US disclosed
US-20090202464-A1 Fragrance Compounds GIVAUDAN S.A. (CH) 2009-08-13 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-20090202464-A1 Fragrance Compounds OR10J3, OR51E2, TAS2R5 GGPS1 4655/4885CES2 1364/4885FAAH 1234/4885

“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.