SCHEMBL2002845

SCHEMBL2002845

CNc1ccc(-c2cc(Cl)ccc2OC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
ALDH1A1 P00352 4/20 0.47
PRKCQ Q04759 3/20 0.46
AGPAT2 O15120 2/20 0.45
ABL1 P00519 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.43
PDE4D Q08499 1/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
KIT P10721 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
SCHEMBL9281838 0.83 APP (0.51) ALDH1A1APPKDM4EMEN1KMT2A
SCHEMBL16404492 0.79 HPGD (0.55) ALDH1A1APPKDM4EMEN1KMT2A
SCHEMBL9227908 0.76 KMT2A (0.59) ALDH1A1APPMEN1KMT2AGAA
SCHEMBL7699644 0.75 ALDH1A1 (0.56) ERN1ALDH1A1AGPAT2KDM4EMEN1
SCHEMBL5099550 0.75 PDE4D (0.56) ERN1ALDH1A1AGPAT2PTGES2PDE4D
SCHEMBL10093048 0.75 AGPAT2 (0.57) ERN1ALDH1A1AGPAT2KDM4EMEN1
SCHEMBL2002844 0.74 ERN1 (0.47) ERN1ALDH1A1AGPAT2PTGES2PDE4D
SCHEMBL2785782 0.73 ALDH1A1 (0.53) ERN1ALDH1A1AGPAT2ABL1KDM4E
SCHEMBL17268971 0.73 ERN1 (0.51) ERN1ALDH1A1AGPAT2ABL1PTGES2
SCHEMBL29634149 0.73 PTGDR2 (0.57) ERN1ALDH1A1AGPAT2PTGES2PDE4D

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 1050/4885PRKCQ 3630/4885

“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.