SCHEMBL4926591

SCHEMBL4926591

CC(C)(C)c1ccc(C(C)(C)C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.48
TYR P14679 1/20 0.48
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HDAC1 Q13547 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
HTT P42858 1/20 0.42
SRD5A2 P31213 1/20 0.41
KIF11 P52732 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38

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
SCHEMBL4969374 0.81 TSHR (0.55) TSHRLMNAALDH1A1HDAC1MEN1
SCHEMBL43182 0.81 ALDH1A1 (0.44) TSHRLMNAALDH1A1HDAC1MEN1
SCHEMBL10984 0.79 APP (0.37) TSHRLMNATP53ALDH1A1MEN1
SCHEMBL3053977 0.79 CYP2A6 (0.40) TSHRLMNACYP1A2ALDH1A1MEN1
SCHEMBL186764 0.79 RAB9A (0.42) LMNATP53ALDH1A1HDAC1MEN1
SCHEMBL14820709 0.79 TP53 (0.35) TSHRLMNATP53ALDH1A1HDAC1
SCHEMBL7753917 0.79 ESR1 (0.56) TSHRLMNATYRALDH1A1MEN1
SCHEMBL3160077 0.79 CES2 (0.44) TSHRCYP1A2ALDH1A1KIF11
SCHEMBL1806495 0.79 MEN1 (0.52) TSHRLMNACYP1A2MEN1KMT2A
SCHEMBL230119 0.79 HDAC8 (0.47) TSHRTP53ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240206778-A1 FRAGRANCE FOR IMPROVING INVIGORATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2024-06-27 US claimed
US-20240197243-A1 FRAGRANCE FOR IMPROVING RELAXATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2024-06-20 US claimed
US-20240197221-A1 FRAGRANCE FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2024-06-20 US claimed
EP-4347762-A1 FRAGRANCE FOR IMPROVING INVIGORATION STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
EP-4347758-A1 FRAGRANCE FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
EP-4347757-A1 FRAGRANCE FOR IMPROVING RELAXATION STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
WO-2022234151-A1 FRAGRANCE FOR IMPROVING INVIGORATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2022-11-10 WO claimed
WO-2022234149-A1 FRAGRANCE FOR IMPROVING RELAXATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2022-11-10 WO claimed
WO-2022234150-A1 FRAGRANCE FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2022-11-10 WO claimed
CN-106066098-B A kind of megastore's dedicated full-automatic drinking water heating automatic control system and its self-con-tained unit 江苏建筑职业技术学院 2019-01-08 CN claimed
CN-102171325-B Composition comprising microcapsules PROCTER & GAMBLE 2014-06-25 CN claimed
CN-103703040-A Water-emulsifiable polyisocyanate composition comprising a fragrance having at least one hydroxyl and/or aldehyde group BAYER IP GMBH 2014-04-02 CN claimed
CN-103554493-A Imidazolidine-type high-molecular spice precursor and synthesis and use thereof SHANGHAI WEIKAI CHEMICALS CO 2014-02-05 CN claimed
CN-102642867-B Method for preparing nanometer Ti4O7 powder UNIV SICHUAN 2014-01-01 CN claimed
CN-103435832-A Polyvinyl-alcohol imbibition sponge material and preparation method thereof UNIV SOUTH CHINA TECH 2013-12-11 CN claimed
CN-103265504-A Synthesis method of Fenpropidin NANTONG WEILIKE CHEMICAL CO LTD 2013-08-28 CN claimed
CN-101460445-B Process for preparing amines BASF SE 2013-06-05 CN claimed
CN-103103023-A Perfume essence added with musk and fruit ester TIANJIN DOUBLE HORSE FLAVOR AND FRAGRANCE NEW TECHNOLOGY CO LTD 2013-05-15 CN claimed
CN-102352282-B Lilial nanometer capsule and preparation method thereof SHANGHAI INST TECHNOLOGY 2013-02-20 CN claimed
CN-102627538-B Preparation method of lilial SUQIAN COSMOS CHEMICAL CO LTD 2013-01-23 CN claimed