SCHEMBL545393

SCHEMBL545393

CC(C)Cc1ccc(C(C)CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.55
ESR2 Q92731 1/20 0.55
PTGS1 P23219 4/20 0.55
PTGS2 P35354 4/20 0.55
ALOX5 P09917 3/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 2/20 0.55
AKR1C3 P42330 2/20 0.55
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
ALB P02768 1/20 0.55
RARB P10826 1/20 0.55
ADRB3 P13945 1/20 0.55
NFKB1 P19838 1/20 0.55
HTR2A P28223 1/20 0.55
NR1I3 Q14994 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
CXCL8 P10145 1/20 0.55
TSHR P16473 1/20 0.55
AKR1C2 P52895 1/20 0.55

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
SCHEMBL9520092 1.00 ESR1 (0.55) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL9519111 1.00 ESR1 (0.55) ESR1ESR2PTGS1PTGS2ALOX5
Sulfamate SCHEMBL9451526 0.88 EPHX1 (0.51) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL6680010 0.85 ESR1 (0.53) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL2641075 0.83 ABCB11 (0.52) ESR1ESR2CYP2C9TSHR
SCHEMBL27876016 0.81 PTGS1 (0.53) ESR1PTGS1PTGS2ALOX5LMNA
SCHEMBL11241173 0.79 ESR1 (0.52) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL9055850 0.78 FAAH (0.55) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL12327017 0.78 TAAR1 (0.56) ESR1ESR2PTGS1PTGS2ALOX5
SCHEMBL28289491 0.78 PTGS1 (0.50) ESR1ESR2PTGS1PTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390724-A Synthesis method of phosphorous acid diester compound 兰州大学 2025-02-07 CN claimed
CN-108238907-A 2- (4- isobutyl phenenyls) propionic acid pharmaceutical synthesis method 成都奥卡特科技有限公司 2018-07-03 CN claimed
EP-0374850-B1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-03-09 EP claimed
US-5260477-A Multistage process of catalytic dehydrogenation and reaction with carbon monoxide then hydrogenation NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-11-09 US claimed
US-5001283-A Process for preparing aromatic alkanols MOBIL OIL CORP. (US) 1991-03-19 US claimed
EP-0374850-A1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-27 EP claimed
EP-0088147-A1 A new compound with analgesic, antiinflammatory and antipyretic activity, process for the preparation thereof and pharmaceutical compositions therefrom AUSONIA FARMACEUTICI S.r.l. (IT) 1983-09-14 EP claimed
CN-122036488-A Method for oxidizing primary alcohol to carboxylic acid by oxygen without metal catalysis 浙江工业大学 2026-05-15 CN disclosed
US-12421200-B2 Manganese-catalysed hydrogenation of esters UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2025-09-23 US disclosed
CN-119390724-A Synthesis method of phosphorous acid diester compound 兰州大学 2025-02-07 CN disclosed
US-20250027118-A1 PHENYL ALCOHOLS FROM GAS FERMENTATION LANZATECH, INC. 2025-01-23 US disclosed
WO-2025019550-A1 PHENYL ALCOHOLS FROM GAS FERMENTATION LANZATECH, INC. (US) 2025-01-23 WO disclosed
CN-119040917-A Electrochemical S-2-pyridylalkyl sulfide synthesis method 杭州师范大学 2024-11-29 CN disclosed
EP-0403185-A2 Compounds having one or more aminosulfonyloxy radicals useful as pharmaceuticals A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-19 EP disclosed
US-4954325-A Adsorbent; alkylation, hydrocracking catalyst MOBIL OIL CORP. (US) 1990-09-04 US disclosed
EP-0226566-B1 OXIDATION OF 2-ARYLPROPANALS MONSANTO COMPANY (US) 1990-08-29 EP disclosed
EP-0374850-A1 Method for preparing alpha-(4-isobutylphenyl)propionic acid or its precursor NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-06-27 EP disclosed
EP-0328125-A2 Process for the enzymatic separation of the optical isomers of racemic alpha-alkyl-substituted primary alcohols ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1989-08-16 EP disclosed
US-4435591-A 2-(4-ISOBUTYLPHENYL)-1-PROPANOL-3,4,5-TRIMETHOXY-BENZOATE AUSONIA FARMACEUTICI S.R.L. (IT) 1984-03-06 US disclosed
EP-0088147-A1 A new compound with analgesic, antiinflammatory and antipyretic activity, process for the preparation thereof and pharmaceutical compositions therefrom AUSONIA FARMACEUTICI S.r.l. (IT) 1983-09-14 EP 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 (1 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-12421200-B2 Manganese-catalysed hydrogenation of esters ADH5, HDHD5, ADH1A ESR1 1070/4885ESR2 923/4885PTGS1 4063/4885

“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.