SCHEMBL1783003

SCHEMBL1783003

CCCCC(C)=C(C)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.56
CES2 O00748 5/20 0.50
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
CA1 P00915 1/20 0.44
AKR1B1 P15121 1/20 0.40
THRB P10828 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
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
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 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
SCHEMBL1783000 1.00 CES1 (0.56) CES1CES2ALDH1A1TP53CA1
SCHEMBL4989271 0.83 CES1 (0.45) CES1CES2ALDH1A1AKR1B1THRB
SCHEMBL1908244 0.82 FNTA (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL357800 0.82 FNTA (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL357799 0.82 FNTA (0.54) CES1CES2ALDH1A1TP53CA1
SCHEMBL12259924 0.80 CES1 (0.52) CES1CES2ALDH1A1TP53CA1
SCHEMBL28779585 0.80 CES1 (0.46) CES1CES2ALDH1A1TP53CA1
SCHEMBL17827010 0.77 CES1 (0.68) CES1CES2ALDH1A1TP53CA1
SCHEMBL19180522 0.77 CES2 (0.52) CES1CES2ALDH1A1AKR1B1THRB
SCHEMBL7461035 0.77 CES1 (0.43) CES1CES2ALDH1A1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
EP-4602141-A1 A FRAGRANCE MIXTURE (VI) Symrise AG (DE) 2025-08-20 EP claimed
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN claimed
EP-4532646-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-04-09 EP claimed
CN-119790128-A Perfume mixture (III) 西姆莱斯股份公司 2025-04-08 CN claimed
US-20250099349-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2025-03-27 US claimed
EP-4519403-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-03-12 EP claimed
CN-119317695-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN claimed
CN-119317696-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN claimed
CN-118580731-B Wave-absorbing material and preparation method thereof 浙江原邦材料科技有限公司 2025-01-10 CN claimed
WO-2023213386-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-11-09 WO claimed
CN-116651480-A Preparation method of in-situ growth palladium-based alloy supported N-doped carbon aerogel electrocatalytic material 南京工业大学 2023-08-29 CN claimed
WO-2023147852-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2023-08-10 WO claimed
WO-2023147874-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-08-10 WO claimed
CN-116435566-A Multifunctional aldehyde-nitrate chemical battery 西北工业大学 2023-07-14 CN claimed
WO-2023083445-A1 COMPOSITIONS COMPRISING TRPM8 AGONISTIC COOLING AGENTS SYMRISE AG (DE) 2023-05-19 WO claimed
WO-2023021012-A1 COMPOSITIONS SYMRISE AG (DE) 2023-02-23 WO claimed
CN-114163467-A Water-based gel consolidation type plugging system suitable for fractured leakage stratum and preparation method and application thereof 中国石油大学(华东) 2022-03-11 CN claimed
CN-112505031-B Novel detection method of aldehyde substance and application thereof 上海碧云天生物技术有限公司 2021-07-27 CN claimed
CN-112505031-A Novel detection method of aldehyde substance and application thereof 上海碧云天生物技术有限公司 2021-03-16 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20250099349-A1 A FRAGRANCE MIXTURE PTMS, EP300, TRPA1 CES1 2525/4885CES2 429/4885ALDH1A1 967/4885
US-20250325463-A1 COMPOSITIONS (III) NISCH, TAS1R3, TAS2R3 CES1 2093/4885CES2 916/4885ALDH1A1 1377/4885

“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.