SCHEMBL2006949

SCHEMBL2006949

COc1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
C5AR1 P21730 1/20 0.53
ABCB1 P08183 4/20 0.50
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL2573344 0.85 CSNK2A1 (0.54) MAOBC5AR1CYP19A1CYP11B1CYP11B2
SCHEMBL2873708 0.84 MAOB (0.62) MAOBC5AR1ABCB1HTR1ADRD2
SCHEMBL2568552 0.80 CFD (0.47) MAOBKDM4EMAPTCYP4F2CYP4A11
SCHEMBL1026336 0.78 MAOB (0.54) MAOBC5AR1ABCB1HTR1ADRD2
SCHEMBL3712764 0.77 MEN1 (0.60) ABCB1KDM4EMEN1ALDH1A1LMNA
SCHEMBL3722770 0.77 MAPK1 (0.59) ABCB1KDM4EMEN1ALDH1A1LMNA
SCHEMBL2570486 0.76 CSNK2A1 (0.57) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL2569165 0.76 PTGER1 (0.50) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL42327 0.76 MEN1 (0.59) MAOBABCB1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9416513 0.76 MAPK1 (0.58) MAOBABCB1KDM4EMEN1ALDH1A1

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 MAOB 1581/4885C5AR1 295/4885ABCB1 937/4885

“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.