SCHEMBL6903513

SCHEMBL6903513

C=CC(C)CC(=O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.38
CA2 P00918 1/20 0.37
TSHR P16473 2/20 0.35

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
SCHEMBL30754352 1.00 CYP2C19 (0.43) CYP2C19ALDH1A1TDP1ACHECA2
Propene SCHEMBL28073750 0.82 CYP2C19 (0.48) CYP2C19ALDH1A1TDP1ACHECA2
Fluoride SCHEMBL5203462 0.82 CYP2C19 (0.56) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL11839869 0.81
Formaldehyde SCHEMBL11857202 0.79 CYP2C19 (0.54) CYP2C19ALDH1A1TDP1ACHECA2
Ethylene SCHEMBL27496633 0.79 CYP2C19 (0.54) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL36990 0.79 CYP2C19 (0.59) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL10834211 0.79 CYP2C19 (0.59) CYP2C19ALDH1A1TDP1ACHECA2
Oxirane SCHEMBL28301802 0.77 CYP2C19 (0.48) CYP2C19ALDH1A1TDP1ACHECA2
SCHEMBL27818060 0.76 CYP2C19 (0.43) CYP2C19ALDH1A1TDP1ACHECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711010-A2 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2026-03-18 EP claimed
US-20250134790-A1 ANTIMICROBIAL COMPOSITIONS FIRMENICH SA (CH) 2025-05-01 US claimed
EP-4096618-B1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2025-01-29 EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
EP-4387583-A1 ANTIMICROBIAL COMPOSITIONS Firmenich SA (CH) 2024-06-26 EP claimed
US-20240164395-A1 EDIBLE SPRAY OR COATING COMPOSITION FOR EXTENDING LIFE OF PERISHABLE GOODS AND METHODS OF PRODUCTION AND USE THEREOF RYP LABS, INC. (US) 2024-05-23 US claimed
CN-117881386-A Antimicrobial compositions 弗门尼舍有限公司 2024-04-12 CN claimed
EP-4322758-A1 EDIBLE SPRAY OR COATING COMPOSITION FOR EXTENDING LIFE OF PERISHABLE GOODS AND METHODS OF PRODUCTION AND USE THEREOF RYP LABS, Inc. (US) 2024-02-21 EP claimed
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2024-02-15 US claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049396-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049397-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160089464-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049398-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO 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-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS LPO, QDPR, TYR CYP2C19 352/4885ALDH1A1 252/4885TDP1 2670/4885
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS OR10J3, OR51E2, MAL2 CYP2C19 472/4885ALDH1A1 27/4885TDP1 3993/4885

“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.