SCHEMBL2985485

SCHEMBL2985485

C=CCOC(=O)COCC(C)CC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 5/20 0.44
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
GAA P10253 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
FFAR1 O14842 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
SCHEMBL29874526 1.00 TDP1 (0.59) TDP1TSHRCYP3A4NPSR1FAAH
SCHEMBL17685753 0.84 TDP1 (0.70) TDP1TSHRCYP3A4NPSR1FAAH
SCHEMBL8670951 0.78 TDP1 (0.61) TDP1TSHRCYP3A4NPSR1MAPT
SCHEMBL3430807 0.78 TDP1 (0.63) TDP1TSHRCYP3A4NPSR1MAPT
SCHEMBL11357983 0.77 TDP1 (0.59) TDP1TSHRCYP3A4NPSR1MAPT
SCHEMBL18561873 0.76 TSHR (0.54) TDP1TSHRCYP3A4NPSR1FAAH
SCHEMBL28422713 0.76 TSHR (0.54) TDP1TSHRCYP3A4NPSR1FAAH
SCHEMBL18561874 0.76 TSHR (0.54) TDP1TSHRCYP3A4NPSR1FAAH
SCHEMBL5873282 0.76 TDP1 (0.61) TDP1TSHRCYP3A4NPSR1MAPT
SCHEMBL10299292 0.76

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 286 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608360-A1 ANTI-DANDRUFF COMPOSITIONS Firmenich SA (CH) 2025-09-03 EP claimed
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN claimed
WO-2024133645-A1 ANTI-DANDRUFF COMPOSITIONS FIRMENICH SA (CH) 2024-06-27 WO claimed
US-20230392098-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS FIRMENICH SA (CH) 2023-12-07 US claimed
EP-4208527-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS Firmenich SA (CH) 2023-07-12 EP claimed
WO-2022084437-A1 IMPROVED FRESHNESS IMPARTING COMPOSITIONS FIRMENICH SA (CH) 2022-04-28 WO claimed
EP-1869150-B2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-08-31 EP claimed
WO-2009052643-A1 ANTI-MALODOUR COMPOSITIONS GIVAUDAN SA (CH) 2009-04-30 WO claimed
EP-1869150-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-12-26 EP claimed
WO-2006109078-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-19 WO claimed
US-12624309-B2 Enol ether properfume FIRMENICH SA (CH) 2026-05-12 US disclosed
US-12616948-B2 Polyamide microcapsules FIRMENICH SA (CH) 2026-05-05 US disclosed
WO-2026087780-A1 CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2026-04-30 WO disclosed
EP-4090453-B1 MICROCAPSULES COATED WITH A POLYSUCCINIMIDE DERIVATIVE FIRMENICH & CIE (CH) 2026-04-29 EP disclosed
US-20260102324-A1 PERFUMING COMPOSITIONS COMPRISING A 2-(ALKYLSULFONYL)OCTAN-4-ONE FIRMENICH SA (CH) 2026-04-16 US disclosed
EP-2155644-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-02-24 EP disclosed
WO-2009052643-A1 ANTI-MALODOUR COMPOSITIONS GIVAUDAN SA (CH) 2009-04-30 WO disclosed
WO-2008148235-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-11 WO disclosed
EP-1869150-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-12-26 EP disclosed
WO-2006109078-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-19 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 (3 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-20260102324-A1 PERFUMING COMPOSITIONS COMPRISING A 2-(ALKYLSULFONYL)OCTAN-4-ONE TRPA1, CUTA, SFN TDP1 813/4885TSHR 3175/4885CYP3A4 249/4885
US-12616948-B2 Polyamide microcapsules HDHD5, DDC, USP39 TDP1 3062/4885TSHR 2043/4885CYP3A4 4664/4885
US-12624309-B2 Enol ether properfume CYP2E1, CBR1, ADH5 TDP1 3468/4885TSHR 4414/4885CYP3A4 24/4885

“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.