SCHEMBL111450

SCHEMBL111450

C/C(=C\C#N)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ KEAP1 Q14145 1/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17629448 1.00 ALDH1A1 (0.50) ALDH1A1KEAP1FFAR1TRPV1KDM4E
SCHEMBL1924615 1.00 ALDH1A1 (0.50) ALDH1A1KEAP1FFAR1TRPV1KDM4E
SCHEMBL111451 1.00 ALDH1A1 (0.50) ALDH1A1KEAP1FFAR1TRPV1KDM4E
SCHEMBL6457350 0.88 MAPT (0.47) ALDH1A1HDAC2HDAC8HDAC6L3MBTL1
SCHEMBL6457353 0.88 MAPT (0.47) ALDH1A1HDAC2HDAC8HDAC6L3MBTL1
SCHEMBL11437178 0.84 FFAR1 (0.44) ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL11444196 0.84 CYP2A6 (0.42) ALDH1A1FFAR1KDM4EKMT2AL3MBTL1
SCHEMBL11444236 0.84 LPL (0.40) ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL11451056 0.84 LPL (0.40) ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL11442008 0.84 CYP2A6 (0.42) ALDH1A1FFAR1KDM4EKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930903-A Acrylic resin for wafer dicing tape and preparation method thereof 深圳先进电子材料国际创新研究院 2025-05-06 — — CN claimed
WO-2025051371-A1 A FRAGRANCE PASTILLE SYMRISE AG (DE) 2025-03-13 — — WO claimed
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 — — EP claimed
WO-2025045353-A1 A FRAGRANCE POD SYMRISE AG (DE) 2025-03-06 — — WO claimed
WO-2025045354-A1 A FRAGRANCE TABLET SYMRISE AG (DE) 2025-03-06 — — WO claimed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 — — EP claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 — — CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 — — US claimed
US-20240050335-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH & CIE (CH) 2024-02-15 — — US claimed
US-20240043770-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH & CIE (CH) 2024-02-08 — — US claimed
EP-1417372-B1 FRAGRANCE COMPOSITIONS FOR CO2 DRY CLEANING PROCESS SYMRISE GMBH & CO KG (DE) 2006-09-27 — — EP claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 — — US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 — — WO claimed
WO-2006053615-A1 FRAGRANCE COMBINATION COMPRISING 3,7-DIMETHYLOCT-6-ENE NITRILE (CITRONELLYL NITRILE) AS GERANONITRILE SUBSTITUTE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-05-26 — — WO claimed
US-6858575-B2 Pro-perfume compositions and substrate-treating products and methods using them PROCTER & GAMBLE COMPANY (US) 2005-02-22 — — US claimed
EP-1448757-A1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2004-08-25 — — EP claimed
US-20030171250-A1 Pro-perfume compositions and substrate-treating products and methods using them THE PROCTER & GAMBLE COMPANY 2003-09-11 — — US claimed
WO-2003046118-A1 PRO-PERFUME COMPOSITIONS USED IN CLEANING OR FABRIC TREATMENT PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2003-06-05 — — WO claimed
EP-1314777-A1 Pro-perfume compositions used in cleaning or fabric treatment products THE PROCTER & GAMBLE COMPANY (US) 2003-05-28 — — EP claimed
US-4193934-A PERFUMES HAARMANN & REIMER GMBH (DE) 1980-03-18 — — 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-20030171250-A1 Pro-perfume compositions and substrate-treating products and methods using them FASN, ALOX5, PAM ALDH1A1 333/4885KEAP1 1678/4885FFAR1 544/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 ALDH1A1 1201/4885KEAP1 3258/4885FFAR1 218/4885

“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.

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