SCHEMBL112612

SCHEMBL112612

CC(OC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
HCAR2 Q8TDS4 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PAM P19021 1/20 0.49
LPAR1 Q92633 1/20 0.48
KLK7 P49862 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CNR2 P34972 1/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR1 O14842 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL3391481 1.00 TSHR (0.71) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL13046507 1.00 TSHR (0.71) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
Formic Acid SCHEMBL11016171 0.94 TSHR (0.63) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
Phenylpropanol SCHEMBL5690153 0.89 TSHR (0.58) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL3395745 0.89 KLK7 (0.61) TSHRALDH1A1L3MBTL1KLK7CNR2
SCHEMBL14088113 0.86 TSHR (0.54) TSHRHCAR2ALDH1A1LPAR1KLK7
SCHEMBL27774184 0.85 HCAR2 (0.54) TSHRHCAR2ALDH1A1CRHBPCRHR2
SCHEMBL27701745 0.85 HCAR2 (0.54) TSHRHCAR2ALDH1A1CRHBPCRHR2
SCHEMBL5676693 0.84 KLK7 (0.57) TSHRALDH1A1KLK7
SCHEMBL12412853 0.84 TSHR (0.73) TSHRALDH1A1MAPK1L3MBTL1CRHBP

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

Appears in 2024 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043867-A1 ASPHALT ADDITIVE, AND ASPHALT COMPOSITION AND PREPARATION METHOD THEREFOR 中国石油化工股份有限公司 2025-03-06 WO claimed
WO-2025043864-A1 MICROCAPSULE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国石油化工股份有限公司 2025-03-06 WO claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4256010-B1 COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2024-07-17 EP claimed
WO-2024083934-A1 METHOD FOR PREPARING 1,4-BUTANEDIOL DIESTERS BASF SE (DE) 2024-04-25 WO claimed
US-20240052262-A1 COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2024-02-15 US claimed
US-11851631-B2 Household product delivering cooling sensations TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-12-26 US claimed
EP-4256010-A1 COMPOSITION Unilever IP Holdings B.V. (NL) 2023-10-11 EP claimed
WO-2023140793-A2 BIOPRODUCTION OF NATURAL PHENETHYL ACETATE, PHENYLACETIC ACID, ETHYL PHENYLACETATE, AND PHENYLETHYL PHENYLACETATE FROM RENEWABLE FEEDSTOCK NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
US-6110449-A ANTIPERSPIRANT, PERFUMES, CYCLODEXTRIN INCLUSION COMPLEX ANDCARRIERS THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US claimed
WO-1999057233-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 1999-11-11 WO claimed
CN-1040549-C Liquid hard surface detergent compositions containing zwitterionic and cationic detergent, surfactants and monoethanolamine and/or beta-aminoalkanol PROCTER & GAMBLE (US) 1998-11-04 CN claimed
CN-1169749-A Detergent compositions containing enduring perfume PROCTER & GAMBLE (US) 1998-01-07 CN claimed
US-5454983-A Liquid hard surface detergent compositions containing zwitterionic and cationic detergent surfactants and monoethanolamine and/or beta-aminoalkanol THE PROCTER & GAMBLE COMPANY (US) 1995-10-03 US claimed
EP-0404470-B1 Fragrance compositions and their use in detergent products QUEST INT (NL) 1994-04-13 EP claimed
EP-0404470-A1 Fragrance compositions and their use in detergent products QUEST INTERNATIONAL B.V. (NL) 1990-12-27 EP claimed
EP-0147191-B1 PERFUME AND COMPOSITIONS CONTAINING PERFUME UNILEVER N.V. (NL) 1989-10-04 EP claimed
US-4663068-A N,N,N',N'-TETRAACETYL ETHYLENEDIAMINE AND SODIUM PERBORATE TETRAHYDRATE LEVER BROTHERS COMPANY (US) 1987-05-05 US claimed
US-4469848-A POLISHES FOR FLOORS, FURNITURE AND WINDOWS LEVER BROTHERS COMPANY (US) 1984-09-04 US claimed