SCHEMBL2006964

SCHEMBL2006964

CCOc1ncc(Cl)cc1-c1ccc(C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
PRKAB2 O43741 3/20 0.43
PRKAG1 P54619 3/20 0.43
PRKAA2 P54646 3/20 0.43
PRKAA1 Q13131 3/20 0.43
PRKAG3 Q9UGI9 3/20 0.43
PRKAG2 Q9UGJ0 3/20 0.43
PRKAB1 Q9Y478 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SYK P43405 1/20 0.41
CHRNA7 P36544 3/20 0.40
CREBBP Q92793 1/20 0.40
CNR1 P21554 3/20 0.40
ABL1 P00519 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5231977 0.81 FFAR4 (0.42) FFAR4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2006705 0.76 ADRB2 (0.41) FFAR4ALDH1A1MAPT
SCHEMBL5231980 0.76 ADRB2 (0.41) FFAR4ALDH1A1MAPT
SCHEMBL29996776 0.72 SRD5A2 (0.57) FFAR4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27015336 0.72 SRD5A2 (0.57) FFAR4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11463145 0.72 KMT2A (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30990046 0.72 KMT2A (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9978231 0.72 CNR1 (0.61) CNR1MAPTTACR2
SCHEMBL9978027 0.71 CNR1 (0.67) CNR1TACR2
SCHEMBL2004333 0.69 SYK (0.45) FFAR4ALDH1A1SYKMAOBSMN1; SMN2

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 FFAR4 84/4885PRKAB2 3974/4885PRKAG1 2956/4885

“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.