SCHEMBL997911

SCHEMBL997911

CCCCc1nccnc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 1/20 0.39
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ZAP70 P43403 1/20 0.36
CDK5 Q00535 1/20 0.36
PTK2B Q14289 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HRH1 P35367 3/20 0.35
CHRM1 P11229 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL674404 0.94 CYP2D6 (0.38) CYP2D6CYP3A4CCNB2CDK1CCNB1
SCHEMBL20873451 0.92 CCNB2 (0.39) CYP2D6CYP3A4CCNB2CDK1CCNB1
SCHEMBL2581673 0.88 CYP2D6 (0.37) CYP2D6CCNB2CDK1CCNB1GSK3A
SCHEMBL28229981 0.84 CCNB2 (0.36) CYP2D6CCNB2CDK1CCNB1GSK3A
SCHEMBL2585189 0.84 CYP2D6 (0.39) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL5175641 0.79 CYP2D6 (0.33) CYP2D6HRH1CHRM1KCNH2CYP19A1
SCHEMBL30149469 0.79 CYP2D6 (0.33) CYP2D6HRH1CHRM1KCNH2CYP19A1
SCHEMBL30610260 0.79 CYP2D6 (0.35) CYP2D6HRH1CHRM1KCNH2CYP2C19
SCHEMBL1607631 0.79 CYP2D6 (0.35) CYP2D6HRH1CHRM1KCNH2CYP2C19
SCHEMBL13939867 0.77 CYP11B1 (0.41) CYP2D6GSK3BHRH1CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116064195-B Coffee-flavored tipping paper essence and preparation method thereof 江苏卫星新材料股份有限公司 2023-09-19 CN claimed
CN-116064195-A Coffee-flavored tipping paper essence and preparation method thereof 江苏卫星新材料股份有限公司 2023-05-05 CN claimed
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
EP-3353272-A1 PERFUME COMPOSITIONS Givaudan SA (CH) 2018-08-01 EP claimed
US-20180187123-A1 Perfume Compositions GIVAUDAN S.A. (CH) 2018-07-05 US claimed
CN-108138081-A Spice composition 奇华顿股份有限公司 2018-06-08 CN claimed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP claimed
WO-2017050971-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2017-03-30 WO claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
EP-1513412-A2 COFFEE AROMA HAVING AN IMPROVED STABILITY Symrise GmbH & Co. KG (DE) 2005-03-16 EP claimed
WO-2004079016-A2 SYSTEM TO PRODUCE SUGAR FROM SUGAR CANE NALCO COMPANY (US) 2004-09-16 WO claimed
WO-2004079017-A2 SYSTEM TO PRODUCE SUGAR FROM SUGAR BEETS CO2 SOLUTIONS, LLC (US) 2004-09-16 WO claimed
WO-2004076696-A1 JUICE CONDITIONER SYSTEM CO2 SOLUTIONS, LLC (US) 2004-09-10 WO claimed
WO-2003101216-A2 COFFEE AROMA HAVING AN IMPROVED STABILITY SYMRISE GMBH & CO. KG (DE) 2003-12-11 WO claimed
EP-4543229-A1 ORAL COMPOSITION COMPRISING A RECEPTOR MODULATOR Nicoventures Trading Limited (GB) 2025-04-30 EP disclosed
EP-4415558-A1 PROCESS FOR TREATING PLANT AND/OR RAW FOOD MATERIAL Nub Technologies Ltd (GB) 2024-08-21 EP disclosed
WO-2024038419-A1 PLANT-ONLY CHEESE FLAVORING REPLACEMENT SYSTEM IN FOOD PRODUCTS THE LIVE GREEN GROUP, INC. (US) 2024-02-22 WO disclosed
WO-2002024857-A1 MULTI-PHASE SOAP HAARMANN & REIMER GMBH (DE) 2002-03-28 WO disclosed
WO-2002019983-A2 CLEANSING/CONDITIONING AGENTS CONTAINING MATRIX PARTICLES WITH A PERFUME COMPONENT AND A WASHING-ACTIVE COMPONENT HAARMANN & REIMER GMBH (DE) 2002-03-14 WO disclosed
WO-2002012157-A1 NOVEL MACROCYCLIC KETONES HAARMANN & REIMER GMBH (DE) 2002-02-14 WO disclosed