SCHEMBL114125

SCHEMBL114125

CC(C)=CCCC(C)=CC#N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
SQLE Q14534 6/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
UGT1A1 P22309 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.45
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42

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
SCHEMBL1472323 1.00 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL5708611 1.00 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL114124 1.00 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL7944380 0.96 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL7944384 0.96 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL10933681 0.96 KMT2A (0.64) KMT2AMEN1CYP3A4ALOX15SQLE
Acetic Acid SCHEMBL28860350 0.87 KDM4E (0.50) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL29473920 0.87 SQLE (0.47) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL13210186 0.83 KMT2A (0.41) KMT2AMEN1CYP3A4ALOX15SQLE
SCHEMBL233976 0.83 KMT2A (0.41) KMT2AMEN1CYP3A4ALOX15SQLE

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

Appears in 2041 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12533310-B2 Fragrance or flavor composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2026-01-27 US claimed
CN-119486703-A Fragrance composition with lasting fragrance appearance 弗门尼舍有限公司 2025-02-18 CN 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-20220378689-A1 FRAGRANCE OR FLAVOR COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-12-01 US claimed
EP-4052761-A1 FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2022-09-07 EP claimed
EP-3240047-B1 PHOTOSENSITIVE COMPOSITION COMPRISING SEMICONDUCTOR NANOCRYSTALS AND METHOD FOR FORMING SEMICONDUCTOR NANOCRYSTAL PATTERN USING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-07-06 EP claimed
CN-108017744-B Powdered carboxylic styrene butadiene rubber and preparation method and application thereof 中国石油化工股份有限公司 2021-07-30 CN claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
WO-2021085591-A1 FRAGRANCE COMPOSITION 高砂香料工業株式会社 2021-05-06 WO 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
CN-1361817-A Perfume compositions PROCTER & GAMBLE (US) 2002-07-31 CN claimed
US-6379658-B1 CONSISTING OF BETA-NAPHTHYL METHYL ETHER, BETA-NAPHTHYL KETONE, BENZYL ACETONE, HEXAHYDRO-4,7-METHANOINDEN-5-YL AND 6-YL PROPIONATES, GAMMA-METHYL IONONE, FURAN DERIVATIVE, 3,7-DIMETHYL-2,6-NONADIEN-1-NITRILE, CYCLIC ESTER, KETONE INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-04-30 US claimed
EP-1113105-A2 Human sweat malodor counteractant composition and process for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2001-07-04 EP claimed
EP-1072673-A2 Perfume compositions THE PROCTER & GAMBLE COMPANY (US) 2001-01-31 EP claimed
WO-2001005919-A2 PERFUME COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO claimed
US-5733535-A Topical compositions containing N-acetylcysteine and odor masking materials THE PROCTER & GAMBLE CO. (US) 1998-03-31 US claimed
WO-1997015283-A1 TOPICAL COMPOSITIONS CONTAINING N-ACETYLCYSTEINE AND ODOR MASKING MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1997-05-01 WO claimed