SCHEMBL42458

SCHEMBL42458

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
KCNN4 O15554 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL305335 0.89 ALDH1A1 (0.39) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL4070722 0.88 CYP2C9 (0.48) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Acetic Acid SCHEMBL23581538 0.85 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL305401 0.85 CYP3A4 (0.41) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL11379208 0.84 CYP2C19 (0.52) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL8647287 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL7099802 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL6552317 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL30229451 0.83 CYP1A2 (0.41) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL4185138 0.83 KIF11 (0.39) ALDH1A1ALOX15MAPK1CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897055-A Method for reducing abnormal odor 奇华顿股份有限公司 2024-04-16 CN claimed
US-20230301329-A1 COMPOSITIONS COMPRISING COOLNESS-REGULATING AGENT, AND METHOD OF USE THEREOF EPC NATURAL PRODUCTS CO., LTD. (CN) 2023-09-28 US claimed
US-11751593-B2 Sweetener and flavor compositions, methods of making and methods of use thereof EPC Natural Products Co., Ltd (CN) 2023-09-12 US claimed
CN-114128864-A Method for preparing areca-nut flavoring by Maillard reaction 可菲生物科技有限公司 2022-03-04 CN claimed
CN-112608402-B Styrene block copolymer and preparation method thereof 北京化工大学 2022-02-11 CN claimed
US-20210386104-A1 WATER SOLUBLE FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC Natural Products Co., Ltd (CN) 2021-12-16 US claimed
CN-112745984-B Lasting fragrance type essence 广州芬豪香精有限公司 2021-10-22 CN claimed
CN-112745984-A Lasting fragrance type essence 广州芬豪香精有限公司 2021-05-04 CN claimed
US-20200138071-A1 SWEETENER AND FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC Natural Products Co., Ltd (CN) 2020-05-07 US claimed
EP-2284203-B1 Method for preparation of polyolefins containing exo-olefin chain ends CHEVRON ORONITE CO (US) 2015-03-04 EP claimed
EP-1572763-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS ExxonMobil Chemical Patents Inc. (US) 2005-09-14 EP claimed
US-20050107536-A1 Polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-19 US claimed
US-20050101751-A1 Halogenated polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-12 US claimed
WO-2004067577-A2 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-08-12 WO claimed
WO-2004058835-A1 POLYMERS SUBSTANTIALLY FREE OF LONG CHAIN BRANCHING EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058828-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058827-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058825-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
US-4582635-A SUSTAINED RELEASE TAKASAGO PERFUMERY CO., LTD. (JP) 1986-04-15 US claimed
US-3950431-A EXTRACTION WITH A SOLUTION OF AN ALCOHOL AND SODIUM HYDROXIDE OR SODIUM CARBONATE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 US claimed