SCHEMBL2002833

SCHEMBL2002833

COc1ccc(C)c(OBOc2cc(OC)ccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP1A2 P05177 7/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C19 P33261 3/20 0.41
CYP2A6 P11509 3/20 0.41
MAPT P10636 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP4B1 P13584 2/20 0.41
CYP2B6 P20813 2/20 0.41

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
SCHEMBL23052 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL958654 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL140807 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL29837419 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL1963842 0.81 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL290040 0.81 CA12 (0.71) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL28752425 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL262721 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1286402 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL15709360 0.78 CA12 (0.48) CA12CA1CA2CA7CA9

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R CA12 3878/4885CA1 1913/4885CA2 1827/4885

“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.