SCHEMBL827613

SCHEMBL827613

CC(C)C(=O)OC/C=C/c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
IDO1 P14902 2/20 0.50
PAM P19021 1/20 0.50
CACNA1B Q00975 1/20 0.49
HTR2A P28223 3/20 0.47
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPOR P19235 1/20 0.44

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
SCHEMBL5306720 1.00 MMP1 (0.51) MMP1MMP2MMP9MMP12IDO1
SCHEMBL827614 1.00 MMP1 (0.51) MMP1MMP2MMP9MMP12IDO1
SCHEMBL17633998 0.97 MMP1 (0.49) MMP1MMP2MMP9MMP12IDO1
SCHEMBL23488770 0.85 GRIK1 (0.44) CACNA1BALDH1A1MAPTSMN1; SMN2
SCHEMBL26510704 0.83 MIF (0.37) MMP1MMP2MMP9MMP12CACNA1B
SCHEMBL23488934 0.83 KDM4E (0.51) ALDH1A1MAPTSMN1; SMN2
SCHEMBL10882018 0.83 MMP1 (0.46) MMP1MMP2MMP9MMP12IDO1
SCHEMBL1158016 0.83 MMP1 (0.51) MMP1MMP2MMP9MMP12IDO1
SCHEMBL1158019 0.83 MMP1 (0.51) MMP1MMP2MMP9MMP12IDO1
SCHEMBL29600 0.82 MMP1 (0.54) MMP1MMP2MMP9MMP12IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911172-B1 COMBINATION OF SATIETY COMPONENTS WITH ARGININE SYMRISE AG (DE) 2026-04-15 EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP claimed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US claimed
CN-111217769-B Method for synthesizing epoxy compound by catalyzing olefin epoxy by using nano alumina 华南理工大学 2023-04-21 CN claimed
CN-115380993-B Clathrate compound containing baohuoside I, composition, preparation method and application thereof 四川合泰新光生物科技有限公司 2023-03-14 CN claimed
CN-115380993-A Clathrate compound containing baohuoside I, composition, preparation method and application thereof 四川合泰新光生物科技有限公司 2022-11-25 CN claimed
CN-114315927-A Berry aroma compound, preparation method thereof and strawberry aroma type essence 东莞波顿香料有限公司 2022-04-12 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
US-10792384-B2 Rolled fibrous structures comprising encapsulated malodor reduction compositions THE PROCTER & GAMBLE COMPANY (US) 2020-10-06 US claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20040091589-A1 Prevention of synthetic color fading in beverages using botanically derived color stabilizers PEPSICO, INC. 2004-05-13 US claimed
EP-0428276-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 1998-09-16 EP claimed
US-5180586-A Cinnamic esters, extermination of acarnia in house dusts TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-01-19 US claimed
EP-0428276-A2 Acaricidal composition Takasago International Corporation (JP) 1991-05-22 EP claimed
US-4094823-A Ethyl-2-methyl-3,4-pentadienoate perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-13 US 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 (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-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT MMP1 4337/4885MMP2 3561/4885MMP9 2914/4885
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS MMP1 541/4885MMP2 688/4885MMP9 256/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 MMP1 198/4885MMP2 262/4885MMP9 117/4885

“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.