SCHEMBL2021869

SCHEMBL2021869

COC(=O)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
ALOX5 P09917 2/20 0.51

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
SCHEMBL8847527 0.91 HCAR2 (0.54) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL2906461 0.89 LMNA (0.64) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL983427 0.88 HCAR2 (0.61) HCAR2TDP1ESR1ESR2NPC1
SCHEMBL2019198 0.87 LMNA (0.57) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2021344 0.86 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2017328 0.86 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2020649 0.86 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17473117 0.86 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2025527 0.86 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16732162 0.84 SMN1; SMN2 (0.51) TDP1NPC1L3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720936-B1 3,7-DIMETHYLOCT-6-EN-1-YL METHYL CARBONATE AS PERFUME INGREDIENT GIVAUDAN SA (CH) 2024-08-14 EP claimed
CN-111039750-B Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-12-22 CN claimed
US-20200369981-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-11-26 US claimed
EP-3720936-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2020-10-14 EP claimed
CN-111039750-A Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-04-21 CN claimed
WO-2019110690-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-06-13 WO claimed
US-4464280-A PERFUEM AROMA ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-07 US claimed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US claimed
EP-3720936-B1 3,7-DIMETHYLOCT-6-EN-1-YL METHYL CARBONATE AS PERFUME INGREDIENT GIVAUDAN SA (CH) 2024-08-14 EP disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
CN-111039750-B Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-12-22 CN disclosed
CN-1064677-A PROCESS FOR PREPARING AROMATIC CARBONATE ASAHI CHEMICAL IND (JP) 1992-09-23 CN disclosed
US-4464280-A PERFUEM AROMA ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-07 US disclosed
US-4464280-A PERFUEM AROMA ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-07 US disclosed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US disclosed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US disclosed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US disclosed