SCHEMBL7789722

SCHEMBL7789722

CCC1(C)CC(C)(C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NOTUM Q6P988 1/20 0.31
KDM1A O60341 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL29477398 1.00 HTR2A (0.35) HTR2APOLBKMT2ACYP1A2CYP2C19
SCHEMBL9453740 0.79 USP2 (0.37) KMT2AKDM4EGAAMAPT
SCHEMBL11522414 0.78 HTR2A (0.35) HTR2APOLBKMT2ACYP1A2CYP2C19
SCHEMBL30695310 0.78 HTR2A (0.39) HTR2AGAANOTUMKDM1A
SCHEMBL2353102 0.78 HTR2A (0.39) HTR2AGAANOTUMKDM1A
SCHEMBL11870317 0.78 HTR2A (0.32) HTR2A
SCHEMBL12681543 0.78 HTR2A (0.32) HTR2AGAANOTUMKDM1A
SCHEMBL11159812 0.75 ESR1 (0.40)
SCHEMBL29548964 0.72 HTR2A (0.35) HTR2AGAANOTUMKDM1A
SCHEMBL5694129 0.72 HTR2A (0.35) HTR2AGAANOTUMKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842928-B1 PROCESS FOR PRODUCING ISOCHROMAN COMPOUNDS KAO CORP (JP) 2001-10-24 EP claimed
US-5912362-A Process for preparing isochroman compounds KAO CORPORATION (JP) 1999-06-15 US claimed
EP-0842928-A1 PROCESS FOR PRODUCING ISOCHROMAN COMPOUNDS Kao Corporation (JP) 1998-05-20 EP claimed
EP-0061267-A1 Process for the production of indanes; process for the production of isochromans and indane precursors used in this process BUSH BOAKE ALLEN Limited (GB) 1982-09-29 EP claimed
JP-8301863-A None JP disclosed
CN-114262253-A Method for preparing aromatic hydrocarbon and/or cycloolefin through dehydrogenation reaction 瀛海(沧州)香料有限公司 2022-04-01 CN disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
EP-0842928-B1 PROCESS FOR PRODUCING ISOCHROMAN COMPOUNDS KAO CORP (JP) 2001-10-24 EP disclosed
US-5912362-A Process for preparing isochroman compounds KAO CORPORATION (JP) 1999-06-15 US disclosed
EP-0842928-A1 PROCESS FOR PRODUCING ISOCHROMAN COMPOUNDS Kao Corporation (JP) 1998-05-20 EP disclosed
JP-H08301863-A PRODUCTION OF ISOCOUMARONE COMPOUND KAO CORP 1996-11-19 JP disclosed
EP-0276766-B1 PROCESS FOR THE PREPARATION OF BETA-ARYL ALCOHOLS BASF Aktiengesellschaft (DE) 1992-09-09 EP disclosed
EP-0120257-A1 Process for the preparation of isochroman derivatives HAARMANN & REIMER GMBH (DE) 1984-10-03 EP disclosed
EP-0115274-A1 Epoxides of bicyclic compounds, process for their preparation and perfumed and/or flavoured compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1984-08-08 EP disclosed
US-4440966-A FROM A STYRENE AND AN ALKENE WITH PHOSPHORIC ACID CATALYST BUSH BOAKE ALLEN (GB) 1984-04-03 US disclosed
EP-0089207-A1 Friedel-Craft reactions BUSH BOAKE ALLEN Limited (GB) 1983-09-21 EP disclosed
EP-0061267-A1 Process for the production of indanes; process for the production of isochromans and indane precursors used in this process BUSH BOAKE ALLEN Limited (GB) 1982-09-29 EP disclosed
US-4315951-A Flavoring with indane alkanols and tricyclic isochromans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-02-16 US disclosed
US-4308412-A Indane alkanols and tricyclic isochromans and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-29 US disclosed
US-4265818-A FOOD FLAVORINGS OR PERFUME COSTNETIC AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-05 US disclosed