SCHEMBL18770213

SCHEMBL18770213

Cc1cccc(C)c1-n1[se]c2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ G6PD P11413 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ PHOSPHO1 Q8TCT1 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP3A4 P08684 1/20 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
SCHEMBL10502469 0.81 METAP2 (0.59) ALDH1A1TDP1G6PDTLR9ACHE
SCHEMBL10748866 0.77 L3MBTL1 (0.43) ALDH1A1TDP1G6PDTLR9ACHE
SCHEMBL10502027 0.75 METAP2 (0.62) MPIPHOSPHO1
SCHEMBL10502317 0.75 MPI (0.67) MPIPHOSPHO1
SCHEMBL10501544 0.75 METAP2 (0.61) ALDH1A1TDP1G6PDACHEMPI
SCHEMBL5916533 0.74 KMT2A (0.45) ALDH1A1G6PDTLR9L3MBTL1MAPT
SCHEMBL10501872 0.73 METAP2 (0.62) ALDH1A1TDP1G6PDACHEMPI
SCHEMBL10746329 0.72 MEN1 (0.46) L3MBTL1MAPT
SCHEMBL10343249 0.72 L3MBTL1 (0.43) ALDH1A1TSHRTDP1G6PDTLR9
SCHEMBL5916501 0.72 L3MBTL1 (0.40) ALDH1A1TDP1G6PDTLR9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11471868-B2 Redox dehydration coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 — — US disclosed
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 — — US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 — — US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 — — WO 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-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI ALDH1A1 232/4885TSHR 2497/4885TDP1 2232/4885
US-11471868-B2 Redox dehydration coupling catalysts and methods related thereto SCLY, TST, SQOR ALDH1A1 242/4885TSHR 2517/4885TDP1 2242/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR ALDH1A1 242/4885TSHR 2517/4885TDP1 2242/4885

“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.

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