SCHEMBL21596743

SCHEMBL21596743

CCCCC(=O)CC(C)SCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.44
CYSLTR1 Q9Y271 10/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
AKR1B1 P15121 1/20 0.41
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
GPR84 Q9NQS5 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL12313631 0.87 CES1 (0.38) KMT2AMAPTALDH1A1MEN1
SCHEMBL23531371 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL23531288 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL23531287 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL23531334 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL23531318 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL23531270 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL23531268 0.86 EPHX1 (0.49) CYSLTR2CYSLTR1KMT2AMAPTTSHR
SCHEMBL28732298 0.84 MAPT (0.41) CYSLTR2CYSLTR1KMT2AMAPTAKR1B1
SCHEMBL21596748 0.84 EPHX1 (0.51) CYSLTR2CYSLTR1KMT2AMAPTPPARG

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 CYSLTR2 975/4885CYSLTR1 803/4885KMT2A 3029/4885

“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.