SCHEMBL19789501

SCHEMBL19789501

COc1ccccc1-n1cccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 4/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR3A P46098 1/20 0.37
HTR6 P50406 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 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
SCHEMBL29972265 1.00 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL16449094 0.82 GAA (0.55) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL29370031 0.78 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL288756 0.78 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL18821837 0.77 GAA (0.50) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL21609737 0.77 TDP1 (0.38)
SCHEMBL15921015 0.75 SMN1; SMN2 (0.42) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL21104952 0.74 GAA (0.47) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL29125557 0.73 MAPK1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3433008 0.73 GAA (0.60) GAAMEN1KMT2AMGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304505-A Method for synthesizing amide by olefin carbonylation 西北大学 2022-11-08 CN disclosed
US-10544174-B2 Process for the alkoxycarbonylation of ethylenically unsaturated compounds with monophosphine ligands EVONIK DEGUSSA GMBH (DE) 2020-01-28 US disclosed
US-20180022764-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS WITH MONOPHOSPHINE LIGANDS EVONIK DEGUSSA GMBH (DE) 2018-01-25 US disclosed
US-20180022764-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS WITH MONOPHOSPHINE LIGANDS EVONIK DEGUSSA GMBH (DE) 2018-01-25 US disclosed
EP-3272732-A1 METHOD FOR THE ALCOXY CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS WITH MONOPHOSPHIN LIGANDS Evonik Degussa GmbH (DE) 2018-01-24 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 (2 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-20180022764-A1 PROCESS FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS WITH MONOPHOSPHINE LIGANDS C1S, C9, C1R GAA 4802/4885MEN1 1072/4885KMT2A 4394/4885
US-10544174-B2 Process for the alkoxycarbonylation of ethylenically unsaturated compounds with monophosphine ligands C1S, C9, C1R GAA 4802/4885MEN1 1072/4885KMT2A 4394/4885

“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.