SCHEMBL2002844

SCHEMBL2002844

COc1cc(-c2cc(Cl)ccc2OC)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
AGPAT2 O15120 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE4D Q08499 1/20 0.42
RECQL P46063 1/20 0.41
SLC9A1 P19634 1/20 0.40
CTSA P10619 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.40
GABRA1 P14867 1/20 0.40
CNR2 P34972 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL1306371 0.84 TRPV4 (0.46) PTGES2MEN1KMT2A
Hydrochloric Acid SCHEMBL31717168 0.82 TRPV4 (0.44) PTGES2MEN1KMT2A
SCHEMBL2006793 0.82 ERN1 (0.47) ERN1PDCD1CD274SLC9A1
SCHEMBL1196055 0.77 KDM4E (0.47) KDM4EMEN1LMNAKMT2AL3MBTL1
SCHEMBL2785782 0.76 ALDH1A1 (0.53) ERN1AGPAT2ALDH1A1KDM4ERECQL
Hydrochloric Acid SCHEMBL3098552 0.75 KDM4E (0.46) KDM4EMEN1LMNAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL31321966 0.75 KDM4E (0.46) KDM4EMEN1LMNAKMT2AL3MBTL1
SCHEMBL13126829 0.75 ALOX5 (0.44) AGPAT2ALDH1A1KDM4EPDE4DMEN1
SCHEMBL7699644 0.74 ALDH1A1 (0.56) ERN1AGPAT2ALDH1A1KDM4ERECQL
SCHEMBL2002845 0.74 ERN1 (0.48) ERN1AGPAT2ALDH1A1KDM4EPDE4D

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 1147/4885PDCD1 4226/4885CD274 3460/4885

“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.