SCHEMBL873242

SCHEMBL873242

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 2/20 0.48
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
PRKCA P17252 2/20 0.39
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
GAA P10253 1/20 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
Ethane SCHEMBL17791907 0.98 TDP1 (0.61) TDP1TSHRMMP1MMP2MMP3
SCHEMBL6530496 0.85 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL374991 0.85 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL29085535 0.84 TDP1 (0.51) TDP1TSHRMMP1MMP2MMP3
SCHEMBL7194323 0.83 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL7574669 0.83 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL10915080 0.83 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL3264927 0.83 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL7583499 0.83 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1ALDH1A1
SCHEMBL9561313 0.83 TDP1 (0.46) TDP1TSHRMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608363-A1 A COMPOSITION FOR IMPROVING EFFECTIVENESS OF DYE PRECURSORS FOR CHANGE OF COLOUR OF HAIR Cavinkare Pvt. Ltd (IN) 2025-09-03 EP claimed
US-12403103-B2 Compositions and methods useful for treatment of respiratory illness THE PROCTER & GAMBLE COMPANY (US) 2025-09-02 US claimed
WO-2024089704-A1 A COMPOSITION FOR IMPROVING EFFECTIVENESS OF DYE PRECURSORS FOR CHANGE OF COLOUR OF HAIR CAVINKARE PVT.LTD. (IN) 2024-05-02 WO claimed
CN-116693654-B Separation method of insulin detention 杭州湃肽生化科技有限公司 2023-10-31 CN claimed
CN-116693654-A Separation method of insulin detention 杭州湃肽生化科技有限公司 2023-09-05 CN claimed
US-11491151-B2 Compositions and kits useful for treatment of respiratory illness THE PROCTER & GAMBLE COMPANY (US) 2022-11-08 US claimed
US-20220152016-A1 Compositions And Kits Useful For Treatment Of Respiratory Illness PROCTER & GAMBLE (US) 2022-05-19 US claimed
CN-107987749-B Tackifier, tackifier composition and preparation method of tackifier 东莞市贝特利新材料有限公司 2020-08-18 CN claimed
EP-3662040-A1 FUEL DERIVED FROM RENEWABLE RESOURCES Universität Regensburg (DE) 2020-06-10 EP claimed
CN-110590550-A Synthesis method of allyl isovalerate 万香科技股份有限公司 2019-12-20 CN claimed
CN-100522127-C Perfume composition KAO CORP (JP) 2009-08-05 CN claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP 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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 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 (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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS TDP1 3632/4885TSHR 4528/4885MMP1 541/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 TDP1 3581/4885TSHR 4168/4885MMP1 198/4885

“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.