SCHEMBL4924821

SCHEMBL4924821

CC(C)=CCc1c(N2C(=O)c3ccccc3C2=O)ccc2oc(=O)cc(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ HIF1A Q16665 4/20 0.38
▸ EPAS1 Q99814 4/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36

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
SCHEMBL14088053 0.87 MAPT (0.39) HPGDGAAMEN1ALDH1A1LMNA
SCHEMBL4927301 0.83 ALDH1A1 (0.39) HPGDGAAMEN1ALDH1A1LMNA
SCHEMBL14088020 0.79 PDE4D (0.46) VKORC1IKBKBPDE4DABCG2HPGD
SCHEMBL4931168 0.76 PDE4D (0.43) VKORC1IKBKBPDE4DABCG2HPGD
SCHEMBL14088021 0.67 ALDH1A1 (0.39) PDE4DHPGDGAAALDH1A1MAPT
SCHEMBL14088022 0.64 KDM4E (0.44) HIF1AHPGDGAAALDH1A1LMNA
SCHEMBL17817107 0.63 NR1H3 (0.56) GAAMEN1KMT2ANR1H2NR1H3
SCHEMBL14088024 0.62 ALDH1A1 (0.46) HPGDGAAALDH1A1LMNAKMT2A
SCHEMBL7981359 0.61 NR1H2 (0.43) HPGDGAAMEN1ALDH1A1LMNA
SCHEMBL4927312 0.60 PDE4D (0.52) PDE4DHPGDGAAALDH1A1LMNA

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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — 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 (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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT VKORC1 723/4885IKBKB 2418/4885HIF1A 1934/4885

“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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