SCHEMBL2004729

SCHEMBL2004729

CON=C(C)c1ccc(-c2cc(F)ccc2OC)c(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
HDAC1 Q13547 2/20 0.39
KDM1A O60341 1/20 0.39
SLC9A1 P19634 2/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38

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 1.00 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL2007115 0.87 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL6650235 0.74 RORC (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL12193904 0.73 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL6704931 0.72 PTGS1 (0.55) RAB9AHDAC6KMT2AHDAC1KDM1A
SCHEMBL2500109 0.71 RAB9A (0.44) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4300383 0.70 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL29276932 0.70 BRD4 (0.49) NR3C1PGRNR3C2AR
SCHEMBL30292727 0.70 BRD4 (0.49) NR3C1PGRNR3C2AR
SCHEMBL30292704 0.69 L3MBTL1 (0.51) ALDH1A1HDAC6KDM4EHDAC1KDM1A

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 ALDH1A1 1050/4885HPGD 1665/4885SMN1; SMN2 2173/4885

“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.