SCHEMBL827153

SCHEMBL827153

CC(C)C(=O)OC(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 1/20 0.42
KCNN4 O15554 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL25968943 0.89 ALDH1A1 (0.50) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL16062552 0.86 CYP1A2 (0.48) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL26939448 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL19602465 0.85 CYP1A2 (0.49) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL26505295 0.83 TSHR (0.40) ALDH1A1MAPTELANEHDAC1HDAC6
SCHEMBL29379772 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL10464550 0.82 CYP1A2 (0.48) ALDH1A1ALOX15CYP1A2CYP2D6CYP2C19
SCHEMBL2769272 0.82 CYP2C19 (0.44) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL42458 0.82 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP1A2CYP2D6
SCHEMBL23489040 0.81 CYP2C9 (0.49) ALDH1A1MAPK1CYP2D6HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
WO-2023002869-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, RESIN, AND METHOD FOR PRODUCING RESIN 富士フイルム株式会社 2023-01-26 WO disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
CN-114010831-A Articles formed with a slurry base material having modified odor release 伊万尔森特公司 2022-02-08 CN disclosed
WO-2011163594-A2 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 WO disclosed
US-20110236828-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110236828-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110223536-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-15 US disclosed
US-20110195362-A1 RESIST UNDERLAYER FILM COMPOSITION, PROCESS FOR FORMING RESIST UNDERLAYER FILM, PATTERNING PROCESS AND FULLERENE DERIVATIVE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-11 US disclosed
US-20110091809-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-04-21 US disclosed
US-20110046348-A1 METHODS OF PREPARING PEPTIDE DERIVATIVES KRUSZYNSKI MARIAN 2011-02-24 US disclosed
US-20100323305-A1 PATTERN FORMING METHOD, RESIST COMPOSITION FOR MULTIPLE DEVELOPMENT USED IN THE PATTERN FORMING METHOD, DEVELOPER FOR NEGATIVE DEVELOPMENT USED IN THE PATTERN FORMING METHOD, AND RINSING SOLUTION FOR NEGATIVE DEVELOPMENT USED IN THE PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2010-12-23 US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-20100239978-A1 PHOTOSENSITIVE COMPOSITION, AND PATTERN-FORMING METHOD AND RESIST FILM USING THE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2010-09-23 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 (5 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885ALOX15 3088/4885MAPK1 1556/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885ALOX15 3088/4885MAPK1 1556/4885
US-20110046348-A1 METHODS OF PREPARING PEPTIDE DERIVATIVES DNPEP, PEPD, PTMS ALDH1A1 2190/4885ALOX15 3808/4885MAPK1 4330/4885
US-20110195362-A1 RESIST UNDERLAYER FILM COMPOSITION, PROCESS FOR FORMING RESIST UNDERLAYER FILM, PATTERNING PROCESS AND FULLERENE DERIVATIVE PARG, TOP2A, FRG1 ALDH1A1 3305/4885ALOX15 604/4885MAPK1 4624/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885ALOX15 3088/4885MAPK1 1556/4885

“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.