SCHEMBL16851072

SCHEMBL16851072

CCCc1c(C(=O)OCC)c(C)nc(C)c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.53
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 2/20 0.49
PDE4D Q08499 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL16851080 0.91 GAA (0.51) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL16851076 0.88 LMNA (0.49) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL16851069 0.88 LMNA (0.49) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL16851079 0.85 ADORA3 (0.65) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL22192888 0.80 ADORA3 (0.63) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL16851073 0.79 ALDH1A1 (0.50) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL10073316 0.76 PDE4D (0.55) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL10379120 0.76 ALDH1A1 (0.61) ADORA3GAAKDM4ELMNAALDH1A1
SCHEMBL6324695 0.75 GAA (0.39) ADORA3GAASMN1; SMN2KDM4ELMNA
SCHEMBL3639850 0.75 PDE4D (0.53) ADORA3GAASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731117-B2 Compositions of certain manganese accumulating plants CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-22 US disclosed
US-11731117-B2 Compositions of certain manganese accumulating plants CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-22 US disclosed
US-20200290032-A1 COMPOSITIONS OF CERTAIN MANGANESE ACCUMULATING PLANTS UNIVERSITÉ DE MONTPELLIER (FR) 2020-09-17 US disclosed
US-10702860-B2 Use of certain manganese-accumulating plants for carrying out organic chemistry reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-07-07 US disclosed
US-20150174566-A1 USE OF CERTAIN MANGANESE-ACCUMULATING PLANTS FOR CARRYING OUT ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-06-25 US disclosed
US-20150174566-A1 USE OF CERTAIN MANGANESE-ACCUMULATING PLANTS FOR CARRYING OUT ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-06-25 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 (4 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-11731117-B2 Compositions of certain manganese accumulating plants AS3MT, ME3, CACYBP ADORA3 4010/4885GAA 206/4885SMN1; SMN2 525/4885
US-20150174566-A1 USE OF CERTAIN MANGANESE-ACCUMULATING PLANTS FOR CARRYING OUT ORGANIC CHEMISTRY REACTIONS OAT, ME1, ME3 ADORA3 3408/4885GAA 28/4885SMN1; SMN2 2410/4885
US-10702860-B2 Use of certain manganese-accumulating plants for carrying out organic chemistry reactions OAT, ME1, ME3 ADORA3 3408/4885GAA 28/4885SMN1; SMN2 2410/4885
US-20200290032-A1 COMPOSITIONS OF CERTAIN MANGANESE ACCUMULATING PLANTS AS3MT, ME3, CACYBP ADORA3 4010/4885GAA 206/4885SMN1; SMN2 525/4885

“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.