SCHEMBL4925486

SCHEMBL4925486

Cc1cc(=O)oc2ccc(N)c(CCO)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 12/20 0.42
▸ HPGD P15428 9/20 0.42
▸ HSD17B10 Q99714 8/20 0.42
▸ GAA P10253 5/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MCL1 Q07820 3/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 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
SCHEMBL4922401 0.87 ALDH1A1 (0.46) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL14088024 0.86 ALDH1A1 (0.46) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL4931168 0.79 PDE4D (0.43) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4929255 0.78 HSD17B10 (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4927301 0.74 ALDH1A1 (0.39) ALDH1A1HTTHPGDHSD17B10GAA
SCHEMBL4927200 0.74 NQO1 (0.39) ALDH1A1HPGDCA9CA12CYP3A4
SCHEMBL14088023 0.72 ALDH1A1 (0.41) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL4931518 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4922420 0.69 NQO1 (0.52) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL924138 0.68 ALDH1A1 (0.35) ALDH1A1HTTKDM4EGAACASP1

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 ALDH1A1 181/4885HTT 1157/4885KDM4E 1183/4885

“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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