SCHEMBL6470482

SCHEMBL6470482

CC(C)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2D6 P10635 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 3/20 0.47
CYP17A1 P05093 2/20 0.47
KCNA5 P22460 2/20 0.46
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
KCNN4 O15554 1/20 0.43
HIF1A Q16665 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.39

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
SCHEMBL6736777 0.89 ALDH1A1 (0.47) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL301345 0.86 ALDH1A1 (0.57) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL6021075 0.86 ALDH1A1 (0.57) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL13956903 0.84 SRD5A2 (0.47) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL11624747 0.82 KCNA5 (0.61) CYP2C19CYP1A2CYP3A4CYP17A1KCNA5
SCHEMBL1153634 0.80 CYP2D6 (0.52) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL17231876 0.80 ALDH1A1 (0.52) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL2034432 0.80 CYP2D6 (0.52) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL5696425 0.80 ALDH1A1 (0.52) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1
SCHEMBL295338 0.80 CYP2D6 (0.52) CYP2C19ALDH1A1CYP2D6HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2023-11-23 US disclosed
US-11751568-B2 Picolinamide compounds with fungicidal activity CORTEVA AGRISCIENCE LLC (US) 2023-09-12 US disclosed
CN-108137478-B Compound, composition thereof, purification method, resist pattern formation method, and amorphous film production method 三菱瓦斯化学株式会社 2021-09-28 CN disclosed
CN-107924123-B Material for lithography, method for producing same, composition for lithography, method for forming pattern, compound, resin, and method for purifying same 学校法人关西大学 2021-08-06 CN disclosed
CN-107428717-B Resist composition, resist pattern forming method, and polyphenol compound used for same 三菱瓦斯化学株式会社 2021-04-23 CN disclosed
CN-107533290-B Resist base material, resist composition, and method for forming resist pattern 三菱瓦斯化学株式会社 2021-04-09 CN disclosed
US-10597353-B2 Processes for the preparation of diastereomerically and enantiomerically enriched oxazolines Química Sintética, S.A. (ES) 2020-03-24 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-10-19 US disclosed
US-20110260343-A1 POLYMERIC COMPOSITIONS COMPRISING PER(PHENYLETHYNYL) ARENE DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-10-27 US disclosed
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
WO-2010019488-A1 POLYMERIC COMPOSITIONS COMPRISING PER(PHENYLETHYNYL) ARENE DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-18 WO disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070232813-A1 Substituted Cyclohexadienals - Syntheses and Applications THE TEXAS A&M UNIVERSITY SYSTEM 2007-10-04 US disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (10 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-20070232813-A1 Substituted Cyclohexadienals - Syntheses and Applications DHPS, COASY, PPIE CYP2C19 1807/4885ALDH1A1 351/4885CYP2D6 986/4885
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 CYP2C19 4696/4885ALDH1A1 4196/4885CYP2D6 4691/4885
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES PFAS, FKBP2, FKBP14 CYP2C19 117/4885ALDH1A1 1160/4885CYP2D6 55/4885
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PDE4B, PDE4A, PDE3B CYP2C19 27/4885ALDH1A1 332/4885CYP2D6 73/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C CYP2C19 1579/4885ALDH1A1 829/4885CYP2D6 1199/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CYP2C19 439/4885ALDH1A1 3140/4885CYP2D6 55/4885
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 CYP2C19 92/4885ALDH1A1 1350/4885CYP2D6 61/4885
US-11751568-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CYP2C19 92/4885ALDH1A1 1350/4885CYP2D6 61/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CYP2C19 232/4885ALDH1A1 2036/4885CYP2D6 653/4885
US-10597353-B2 Processes for the preparation of diastereomerically and enantiomerically enriched oxazolines HPD, HAAO, CYP8B1 CYP2C19 92/4885ALDH1A1 126/4885CYP2D6 23/4885

“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.