SCHEMBL28939729

SCHEMBL28939729

CC(C)(C)OC(=O)NCCC1=CCC=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ DRD2 P14416 2/20 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
SCHEMBL31247297 0.79 KDM4E (0.42) ALDH1A1MEN1KMT2A
SCHEMBL26205507 0.74 ALDH1A1 (0.63) HTTALDH1A1GAAEPHX1
SCHEMBL26980917 0.73 ACE (0.47) IDO1
SCHEMBL11345065 0.70 MEN1 (0.40) TDP1MEN1GAAKMT2ACA1
SCHEMBL3341020 0.70 TDP1 (0.67) TDP1HTTNPSR1NQO2ALDH1A1
SCHEMBL23449213 0.69 CA2 (0.58) TDP1NQO2NAMPTKMT2ACA1
SCHEMBL5264226 0.69 CA2 (0.58) TDP1NQO2NAMPTKMT2ACA1
SCHEMBL1866534 0.69 CA2 (0.49) TDP1HTTNPSR1NQO2ALDH1A1
SCHEMBL572740 0.68 IDO1 (0.60) ALDH1A1NAMPTGAAEPHX1CA1
SCHEMBL21680877 0.68 NQO2 (0.57) TDP1HTTNQO2NAMPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230090784-A1 Photoredox Catalysts And Methods Of Using Such Catalysts UNIV COLORADO STATE RES FOUND (US) 2023-03-23 — — US disclosed
CN-115485067-A Benzoperylene imide photoredox catalysts and methods of using such catalysts 科罗拉多州立大学研究基金会 2022-12-16 — — CN disclosed
EP-4087679-A2 BENZOPERYLENE IMIDE PHOTOREDOX CATALYSTS AND METHODS OF USING SUCH CATALYSTS Colorado State University Research Foundation (US) 2022-11-16 — — EP 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 (1 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-20230090784-A1 Photoredox Catalysts And Methods Of Using Such Catalysts PPOX, PAH, AHR TDP1 1585/4885HTT 1206/4885NPSR1 4322/4885

“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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