SCHEMBL6156513

SCHEMBL6156513

CC1(C)OCc2cc(C=O)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAOB P27338 2/20 0.33
ALDH1A3 P47895 2/20 0.32
FDPS P14324 1/20 0.32
CYP2A6 P11509 4/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL30044913 1.00 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL30340334 0.87 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL6156507 0.87 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL28746936 0.84 MAOB (0.33) ALDH1A1TDP1TSHRMAOB
SCHEMBL14898033 0.80 KDM4E (0.50) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL6155589 0.79 TUBB4A (0.38) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL5534700 0.78 HIF1A (0.32) TSHRMAPTMAOB
SCHEMBL2558135 0.77 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10TSHRHPGD
SCHEMBL10257181 0.76 MMP12 (0.38) ALDH1A1HSD17B10TSHRKMT2AGAA
SCHEMBL6158548 0.76 ATM (0.38) ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097696-A1 METHOD FOR SYNTHESIZING (1R)-1-(2,2-DIMETHYL-4H-1,3-BENZODIOXIN-6-YL)-2-NITROETHANOL 广东莱佛士制药技术有限公司 2023-06-08 WO disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
CN-111057696-B Hydroxynitrile lyase mutant and application thereof in synthesis of (R) -salmeterol 华东理工大学 2022-11-11 CN disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
CN-111057696-A Hydroxynitrile lyase mutant and application thereof in synthesis of (R) -salmeterol 华东理工大学 2020-04-24 CN disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-0947498-B1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME CHISSO CORP (JP) 2004-09-15 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed
US-4373101-A BACTERICIDES; ANIMAL GROWTH REGULATORS; LOW TOXICITY; ANIMAL HUSBANDRY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-02-08 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 (3 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 ALDH1A1 2267/4885TDP1 4/4885HSD17B10 2790/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 ALDH1A1 2267/4885TDP1 4/4885HSD17B10 2790/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 ALDH1A1 29/4885TDP1 2914/4885HSD17B10 595/4885

“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.