SCHEMBL21596759

SCHEMBL21596759

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.37
▸ PLA2G2A P14555 3/20 0.36
▸ PLA2G5 P39877 3/20 0.36
▸ NOD1 Q9Y239 3/20 0.35
▸ HAO1 Q9UJM8 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ICMT O60725 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ FAAH O00519 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MME P08473 1/20 0.31
▸ ACE2 Q9BYF1 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
SCHEMBL21596758 1.00 ACE (0.37) ACEPLA2G2APLA2G5NOD1HAO1
SCHEMBL21596751 0.86 ZDHHC7 (0.34) MAPTHDAC2
SCHEMBL21596750 0.86 ZDHHC7 (0.34) MAPTHDAC2
SCHEMBL28478998 0.81 ACE (0.41) ACEPLA2G2APLA2G5NOD1HAO1
SCHEMBL28478999 0.81 ACE (0.41) ACEPLA2G2APLA2G5NOD1HAO1
SCHEMBL21596754 0.79 ACE2 (0.39) ACEHAO1KMT2AMAPTFAAH
SCHEMBL23531288 0.74 EPHX1 (0.49) HAO1KMT2AMAPTFAAHMEN1
SCHEMBL23531371 0.74 EPHX1 (0.49) HAO1KMT2AMAPTFAAHMEN1
SCHEMBL23531318 0.74 EPHX1 (0.49) HAO1KMT2AMAPTFAAHMEN1
SCHEMBL23531334 0.74 EPHX1 (0.49) HAO1KMT2AMAPTFAAHMEN1

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 ACE 4554/4885PLA2G2A 3867/4885PLA2G5 4379/4885

“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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