SCHEMBL13232138

SCHEMBL13232138

CC(=O)OCC(F)(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ACSS2 Q9NR19 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C19 P33261 2/20 0.40
KCNN4 O15554 1/20 0.40
MAPK1 P28482 1/20 0.39
BACE1 P56817 1/20 0.39
PTPN1 P18031 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CNR1 P21554 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
CES1 P23141 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27913711 0.82 PLOD2 (0.38) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL19510922 0.82 CYP2C19 (0.37) ALDH1A1CYP2C19MAPK1KMT2AMEN1
SCHEMBL2011672 0.82 ALDH1A1 (0.46) ALDH1A1HIF1ACYP2C19KCNN4BACE1
SCHEMBL10780734 0.81 ALDH1A1 (0.52) ALDH1A1ACSS2HIF1ACYP2C19KCNN4
SCHEMBL9189254 0.81 ALDH1A1 (0.52) ALDH1A1ACSS2HIF1ACYP2C19KCNN4
SCHEMBL30839871 0.80 MAOB (0.48) ALDH1A1KMT2AMEN1
SCHEMBL2791920 0.80 ALDH1A1 (0.43) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL111213 0.79 ALDH1A1 (0.50) ALDH1A1ACSS2HIF1ACYP2C19KCNN4
Ether SCHEMBL19510374 0.77 MAPT (0.39) ALDH1A1CYP2C19KCNN4MAPK1KMT2A
SCHEMBL28670434 0.77 ACHE (0.60) ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
CN-107337581-B Process for preparing difluoroalcohol compounds 三和涂料工业有限公司 2020-12-29 CN disclosed
EP-3239123-B1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND SAMHWA PAINTS IND CO LTD (KR) 2020-01-29 EP disclosed
US-10358412-B2 Method of preparing difluorinated alcohol compound SAMHWA PAINTS INDUSTRIES CO., LTD. (KR) 2019-07-23 US disclosed
US-20170313651-A1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND SAMHWA PAINTS INDUSTRIES CO., LTD. (KR) 2017-11-02 US disclosed
EP-3239123-A1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND Samhwa Paints Industries Co., Ltd. (KR) 2017-11-01 EP disclosed
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 US disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 US disclosed
CN-101039920-A 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin d2 receptor antagonists AVENTIS PHARMA INC (US) 2007-09-19 CN 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 (6 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 ALDH1A1 3621/4885ACSS2 3239/4885HIF1A 2157/4885
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ALDH1A1 434/4885ACSS2 2250/4885HIF1A 1307/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ALDH1A1 2005/4885ACSS2 3712/4885HIF1A 495/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ALDH1A1 434/4885ACSS2 2250/4885HIF1A 1307/4885
US-20170313651-A1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND PFAS, ADH1C, ADH1A ALDH1A1 92/4885ACSS2 2116/4885HIF1A 2937/4885
US-10358412-B2 Method of preparing difluorinated alcohol compound PFAS, ADH1C, ADH1A ALDH1A1 92/4885ACSS2 2116/4885HIF1A 2937/4885

“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.