SCHEMBL22828754

SCHEMBL22828754

CCOC(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
CXCR1 P25024 3/20 0.47
CXCR2 P25025 3/20 0.47
ALOX5 P09917 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C2 P52895 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL1338718 0.85 LMNA (0.43) PTGS1PTGS2LMNACYP2C9ESR1
SCHEMBL22828755 0.85 PTGS1 (0.44) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL27342276 0.84 PTGS2 (0.47) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL22833062 0.84 PTGS2 (0.47) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL13662055 0.83 TSHR (0.47) LMNAAKR1C3TSHRAKR1C2
SCHEMBL22828760 0.82 PTGS2 (0.42) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL8124982 0.81 PTGS1 (0.44) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL14706788 0.80 PPARA (0.37) PTGS2LMNAESR1ADRB3TSHR
SCHEMBL8601414 0.79 PTGS1 (0.50) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL18253207 0.79 EPHX1 (0.44) PTGS2LMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3978469-B1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2023-07-26 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
EP-3978469-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2022-04-06 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
EP-3757197-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2020-12-30 EP disclosed
WO-2020260165-A1 1-ALKOXYETHYL-4-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2020-12-30 WO 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.