SCHEMBL2005692

SCHEMBL2005692

COc1cc(-c2cc(F)ccc2OC)ccc1C=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.68
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AMY1A P0DUB6 1/20 0.43
LMNA P02545 1/20 0.43
LRRK2 Q5S007 1/20 0.42
MAPT P10636 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL19153322 0.88 ERN1 (0.60) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL17535470 0.87 ERN1 (0.53) ERN1ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL12834085 0.84 ERN1 (0.71) ERN1ALDH1A1MAPT
SCHEMBL18177606 0.84 ERN1 (0.62) ERN1ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL5735288 0.84 ALDH1A1 (0.56) ERN1ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL19153924 0.84 ERN1 (0.56) ERN1ALDH1A1
SCHEMBL365682 0.84 ALDH1A1 (0.63) ERN1ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL2002821 0.81 ERN1 (0.59) ERN1ALDH1A1TSHRTDP1FFAR4
SCHEMBL12766826 0.81 ERN1 (1.00) ERN1
SCHEMBL32670810 0.80 ALDH1A1 (0.68) ERN1ALDH1A1L3MBTL1KDM4ETSHR

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
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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 (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 ERN1 1147/4885ALDH1A1 1050/4885L3MBTL1 3661/4885

“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.