SCHEMBL173882

SCHEMBL173882

CCCC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
CYP1A2 P05177 4/20 0.42
LMNA P02545 3/20 0.42
CYP2D6 P10635 3/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL28727669 0.98 CYP2C19 (0.46) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL7565919 0.89 CYP2C9 (0.50) MAPTDRD3DRD2LMNACYP2C9
SCHEMBL4007554 0.89 KIF11 (0.47) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL27496627 0.88 CYP2C19 (0.47) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL28075985 0.87 GAA (0.45) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL28727607 0.87 KIF11 (0.46) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL28727389 0.87 KIF11 (0.46) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL8610801 0.86 CYP2C19 (0.46) CYP2C19HIF1AKMT2AMAPTOPRM1
SCHEMBL29456058 0.85 GAA (0.44) CYP2C19HIF1AHTTGAAALDH1A1
SCHEMBL3242856 0.85 GAA (0.44) CYP2C19HIF1AHTTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396589-A Oral care flavor and assessment method for improving pleasure status 奇华顿股份有限公司 2024-01-12 CN claimed
CN-117396587-A Oral care flavor and assessment method for improving relaxation state 奇华顿股份有限公司 2024-01-12 CN claimed
EP-3006547-B1 FRAGRANCE-CONTAINING CAPSULE AND COSMETIC IN WHICH SAID CAPSULES ARE BLENDED SHISEIDO CO LTD (JP) 2019-10-30 EP claimed
EP-3452462-A1 SOLID STATE FORMS OF 2-[4-(2-{4-[1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL]-1-PIPERIDINYL}ETHYL)PHENYL]-2-METHYLPROPANOIC ACID AND PROCESS FOR PREPARATION THEREOF MSN Laboratories Private Limited, R&D Center (IN) 2019-03-13 EP claimed
WO-2017191651-A1 SOLID STATE FORMS OF 2-[4-(2-{4-[1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL]-1-PIPERIDINYL}ETHYL)PHENYL]-2-METHYLPROPANOIC ACID AND PROCESS FOR PREPARATION THEREOF MSN LABORATORIES PRIVATE LIMITED, R & D CENTER (IN) 2017-11-09 WO claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 EP disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 WO disclosed
CN-117396589-A Oral care flavor and assessment method for improving pleasure status 奇华顿股份有限公司 2024-01-12 CN disclosed
CN-117396587-A Oral care flavor and assessment method for improving relaxation state 奇华顿股份有限公司 2024-01-12 CN disclosed
EP-0149054-B1 METHOD FOR THE PREPARATION OF CYCLODODECENYLACETONITRIL AND ITS USE AS FRAGRANCE OR AS A COMPONENT OF A FRAGRANT COMPOSITION HÜLS AKTIENGESELLSCHAFT (DE) 1987-02-04 EP disclosed
EP-0045861-B1 UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1984-10-03 EP disclosed
EP-0112394-A1 PROCESS FOR PREPARING ANGELIC ACID OR ITS ESTER TORAY INDUSTRIES, INC. (JP) 1984-07-04 EP disclosed
EP-0045861-A2 Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1982-02-17 EP disclosed