SCHEMBL8601414

SCHEMBL8601414

COC(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
CXCR1 P25024 3/20 0.50
CXCR2 P25025 3/20 0.50
ALOX5 P09917 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C2 P52895 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL15819127 0.83 SLC6A4 (0.60)
SCHEMBL11249724 0.83 PTGS1 (0.50) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL9349161 0.81 PTGS1 (0.48) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL1338710 0.81 AKR1C2 (0.42) ESR1TSHRAKR1C2
SCHEMBL9069719 0.80 TDP1 (0.48) LMNAAKR1C3TSHRAKR1C2
SCHEMBL22833062 0.79 PTGS2 (0.47) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL22828754 0.79 PTGS1 (0.47) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL31541697 0.78 AKR1C2 (0.37) CXCR1CXCR2ESR1TSHRAKR1C2
SCHEMBL31541678 0.78 AKR1C2 (0.37) CXCR1CXCR2ESR1TSHRAKR1C2
SCHEMBL13168065 0.78 IDO1 (0.45) PTGS2CXCR1CXCR2ESR1ADRB3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741684-B1 PROCESS FOR PREPARING CARBOXYLIC ACIDS BY CARBONYLATION OF ETHERS AND THIOETHERS ALBEMARLE CORP (US) 1998-02-04 EP claimed
US-5399747-A Process for preparing carboxylic acids by carbonylation of ethers and thioethers ALBEMARLE CORPORATION (US) 1995-03-21 US claimed
US-5315030-A Catalytic carbonylation of ethers and thioethers ETHYL CORPORATION (US) 1994-05-24 US claimed
US-12297169-B2 1-alkoxyethyl-4-isobutyl-benzene as aroma ingredients BASF SE 2025-05-13 US disclosed
CN-113950521-B 1-Alkoxyethyl-4-isobutylbenzene as aromatic component 巴斯夫欧洲公司 2024-11-08 CN disclosed
EP-3986995-B1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2023-08-09 EP disclosed
US-20220251014-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2022-08-11 US disclosed
EP-3986995-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2022-04-27 EP disclosed
CN-113950521-A 1-alkoxyethyl-4-isobutylbenzene as an aromatic ingredient 巴斯夫欧洲公司 2022-01-18 CN disclosed
WO-2020260165-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2020-12-30 WO disclosed
EP-3757197-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2020-12-30 EP disclosed
EP-0939759-A2 SACCHARIDE DERIVATIVES SYNSORB Biotech Inc. (CA) 1999-09-08 EP disclosed
EP-0938492-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB Biotech Inc. (CA) 1999-09-01 EP disclosed
WO-1998022487-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB BIOTECH, INC. (CA) 1998-05-28 WO disclosed
WO-1998021220-A2 SACCHARIDE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 WO disclosed
EP-0741684-B1 PROCESS FOR PREPARING CARBOXYLIC ACIDS BY CARBONYLATION OF ETHERS AND THIOETHERS ALBEMARLE CORP (US) 1998-02-04 EP disclosed
US-5399747-A Process for preparing carboxylic acids by carbonylation of ethers and thioethers ALBEMARLE CORPORATION (US) 1995-03-21 US disclosed
US-5315030-A Catalytic carbonylation of ethers and thioethers ETHYL CORPORATION (US) 1994-05-24 US disclosed
US-5278335-A Preparation of aryl-substituted aliphatic carboxylic acid esters by catalytic carbonylation ETHYL CORPORATION (US) 1994-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12297169-B2 1-alkoxyethyl-4-isobutyl-benzene as aroma ingredients EBP, DBI, DECR1 PTGS1 1222/4885PTGS2 1964/4885CXCR1 1831/4885
US-20220251014-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS EBP, DBI, DECR1 PTGS1 1222/4885PTGS2 1964/4885CXCR1 1831/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.