SCHEMBL16316715

SCHEMBL16316715

Cc1c(-c2ccc(NC(=O)OC(C)(C)C)c(CCCC(C)(C)[Si](C)(C)O)c2)c(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ GAA P10253 5/20 0.36
▸ LMNA P02545 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ CASP1 P29466 5/20 0.36
▸ CASP7 P55210 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ GLA P06280 4/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ RECQL P46063 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ SLC16A3 O15427 1/20 0.34
▸ USP2 O75604 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL14088008 0.87 KDM4E (0.37) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL16316729 0.75 ALDH1A1 (0.47) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL14088016 0.71 ALDH1A1 (0.43) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL3205404 0.67 ALDH1A1 (0.51) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL17914323 0.66 ALDH1A1 (0.62) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL17716529 0.66 MCL1 (0.46) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL14088018 0.66 MEN1 (0.45) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL17716528 0.65 MEN1 (0.45) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL17948513 0.65 SLC16A3 (0.49) KDM4EHSD17B10GAALMNAMAPT
SCHEMBL17948543 0.64 MEN1 (0.53) KDM4EHSD17B10GAALMNAMAPT

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 1 patent. 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

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 KDM4E 1183/4885HSD17B10 336/4885GAA 67/4885

“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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