SCHEMBL21596751

SCHEMBL21596751

CCCCC(=O)CC(C)NC(CSC(C)CC(=O)CCCC)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC7 Q9NXF8 1/20 0.34
▸ HDAC2 Q92769 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ BIRC2 Q13490 2/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ MAPT P10636 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
SCHEMBL21596750 1.00 ZDHHC7 (0.34) ZDHHC7HDAC2CA1CA2BIRC2
SCHEMBL21596759 0.86 ACE (0.37) HDAC2MAPT
SCHEMBL21596758 0.86 ACE (0.37) HDAC2MAPT
SCHEMBL28486978 0.82 ZDHHC7 (0.38) ZDHHC7HDAC2CA1CA2BIRC2
SCHEMBL23531371 0.72 EPHX1 (0.49) EPHX1MAPT
SCHEMBL23531270 0.72 EPHX1 (0.49) EPHX1MAPT
SCHEMBL23531288 0.72 EPHX1 (0.49) EPHX1MAPT
SCHEMBL23531334 0.72 EPHX1 (0.49) EPHX1MAPT
SCHEMBL23531287 0.72 EPHX1 (0.49) EPHX1MAPT
SCHEMBL23531318 0.72 EPHX1 (0.49) EPHX1MAPT

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 4 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
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 ZDHHC7 687/4885HDAC2 260/4885CA1 4456/4885

“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.

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