SCHEMBL16726537

SCHEMBL16726537

COc1ccc(OCCCN)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
ADRA1A P35348 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PRSS1 P07477 4/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD3 P35462 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5211170 0.91 CA2 (0.57) CA2CA12CA1CA7CA9
SCHEMBL22498547 0.85 CA2 (0.55) CA2CA12CA1CA7CA9
SCHEMBL8337382 0.85 CA12 (0.59) CA2CA12CA1CA7CA9
SCHEMBL9211531 0.83 CA2 (0.57) CA2CA12CA1CA7CA9
SCHEMBL4392307 0.81 CA2 (0.55) CA2CA12CA1CA7CA9
SCHEMBL15450963 0.81 CA2 (0.59) CA2CA12CA1CA7CA9
SCHEMBL23369402 0.81 KDM4E (0.47) CA2CA12CA1CA7CA9
SCHEMBL7392269 0.80 CA12 (0.53) CA2CA12CA1CA7CA9
SCHEMBL16314448 0.80 THRA (0.56) CA2CA12CA1CA7CA9
SCHEMBL28900582 0.80 CA2 (0.53) CA2CA12CA1CA7CA9

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 CA2 4260/4885CA12 4248/4885CA1 3421/4885

“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.