SCHEMBL16726641

SCHEMBL16726641

COc1cccc(OCCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.70
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HEXA P06865 2/20 0.63
HEXB P07686 2/20 0.63
HTR1A P08908 4/20 0.60
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.53

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
SCHEMBL15923444 0.94 HTR1A (0.63) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL10050510 0.87 RAB9A (0.85) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL15923353 0.86 MAPT (0.67) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL2205237 0.84 RAB9A (0.71) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL2204905 0.84 RAB9A (0.71) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL16726539 0.83 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL17334640 0.83 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL7299163 0.83 RAB9A (1.00) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL10960255 0.83 RAB9A (0.70) RAB9AMAPTSMN1; SMN2TDP1KMT2A
SCHEMBL10677584 0.83 RAB9A (0.75) RAB9AMAPTSMN1; SMN2TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
US-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2017-02-16 US disclosed
WO-2015071657-A9 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2016-09-15 WO disclosed
WO-2015071657-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS THE UNIVERSITY OF MANCHESTER (GB) 2015-05-21 WO 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-20170044208-A1 SELECTIVE GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 RAB9A 3557/4885MAPT 4838/4885SMN1; SMN2 4779/4885

“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.