SCHEMBL21596744

SCHEMBL21596744

CCCCC(=O)CC(C)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL7598066 0.93 MAPT (0.50) CES1CES2MAPTKMT2A
SCHEMBL27243095 0.91 MAPT (0.54) CES1CES2MAPTKMT2A
SCHEMBL1425767 0.91 MAPT (0.54) CES1CES2MAPTKMT2A
SCHEMBL5014486 0.91 MAPT (0.54) CES1CES2MAPTKMT2A
SCHEMBL21662481 0.85
SCHEMBL8594270 0.83 CES1 (0.48) CES1CES2MAPTALDH1A1TP53
SCHEMBL108545 0.83 CES1 (0.48) CES1CES2MAPTALDH1A1TP53
SCHEMBL2049922 0.83 CES1 (0.48) CES1CES2MAPTALDH1A1TP53
Isopropyl Alcohol SCHEMBL4911456 0.82 CES1 (0.52) CES1CES2MAPTALDH1A1TP53
SCHEMBL14763787 0.81 CES1 (0.46) CES1CES2MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024269-A1 Pro-Perfume Compositions FIRMENICH SA (CH) 2023-01-26 US disclosed
EP-4034073-A1 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2022-08-03 EP disclosed
CN-114727924-A Pro-fragrance compositions 弗门尼舍有限公司 2022-07-08 CN disclosed
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
WO-2021123144-A1 PRO-PERFUME COMPOSITIONS FIRMENICH SA (CH) 2021-06-24 WO 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 CES1 2423/4885CES2 142/4885MAPT 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.