SCHEMBL2007115

SCHEMBL2007115

COC(=O)c1cc(C(C)=O)ccc1-c1cc(F)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2004727 0.87 ALDH1A1 (0.43) ALDH1A1GAAHPGDSMN1; SMN2HDAC6
SCHEMBL2004729 0.87 ALDH1A1 (0.43) ALDH1A1GAAHPGDSMN1; SMN2HDAC6
SCHEMBL29786763 0.81 CFTR (0.48) ALDH1A1AKR1C3AKR1C2HPGDKMT2A
SCHEMBL6490411 0.81 SLC6A3 (0.61) ALDH1A1GAAHPGDSMN1; SMN2KMT2A
SCHEMBL129159 0.80 HDAC1 (0.57) ALDH1A1AKR1C3AKR1C2HPGDHDAC6
SCHEMBL6650235 0.79 RORC (0.46) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL7860259 0.78 KMT2A (0.57) ALDH1A1AKR1C3AKR1C2GAAHPGD
SCHEMBL12193904 0.78 MAPT (0.46) ALDH1A1GAAHPGDSMN1; SMN2KMT2A
SCHEMBL2006747 0.78 ALDH1A1 (0.52) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL6704931 0.76 PTGS1 (0.55) HDAC6HDAC1KMT2AMEN1KDM1A

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 ALDH1A1 1050/4885AKR1C3 109/4885AKR1C2 254/4885

“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.