SCHEMBL21596748

SCHEMBL21596748

CCCCCCCCSC(C)CC(=O)CCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
CES2 O00748 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
CES1 P23141 3/20 0.38
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
PPARG P37231 3/20 0.36

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
SCHEMBL29436973 1.00 EPHX1 (0.51) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL21596738 1.00 EPHX1 (0.51) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531288 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531268 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531318 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531371 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531270 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531334 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL23531287 0.98 EPHX1 (0.49) EPHX1KMT2AMAPTCES2HSD17B10
SCHEMBL12313631 0.89 CES1 (0.38) EPHX1KMT2AMAPTCES2TP53

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-3746532-B1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR FIRMENICH & CIE (CH) 2022-02-23 EP disclosed
US-20210363461-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR FIRMENICH SA (CH) 2021-11-25 US disclosed
EP-3746532-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR Firmenich SA (CH) 2020-12-09 EP disclosed
CN-111971371-A Compounds providing long lasting strawberry odor 弗门尼舍有限公司 2020-11-20 CN disclosed
WO-2019243369-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR FIRMENICH SA (CH) 2019-12-26 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-20210363461-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING STRAWBERRY ODOR CUTA, TRPA1, COXFA4L2 EPHX1 1650/4885KMT2A 3029/4885MAPT 1999/4885

“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.