SCHEMBL6807534

SCHEMBL6807534

CC(CC(O)(C(C)n1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
PARP1 P09874 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NCF1 P14598 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TNKS O95271 1/20 0.34
ABL1 P00519 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NTRK1 P04629 1/20 0.33

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
SCHEMBL10142734 0.67 NCF1 (0.56) CNR2NOS1ALDH1A1NCF1KDM4E
SCHEMBL4468861 0.66 NR3C1 (0.69) PARP1
SCHEMBL104514 0.66 NCF1 (0.60) NOS1ALDH1A1NCF1KDM4EHPGD
SCHEMBL27778214 0.66 NR3C1 (0.42) ALDH1A1
SCHEMBL20350349 0.64 NCF1 (0.44) NOS1ALDH1A1NCF1KDM4EHPGD
SCHEMBL20350354 0.63 NCF1 (0.43) NOS1ALDH1A1NCF1KDM4EHPGD
SCHEMBL16019428 0.63 GAA (0.43) ALDH1A1HPGDHTTRAB9A
SCHEMBL29742948 0.63 GAA (0.43) ALDH1A1HPGDHTTRAB9A
SCHEMBL11365429 0.63 NCF1 (0.60) NOS1ALDH1A1NCF1KDM4EHPGD
Hydrochloric Acid SCHEMBL29744409 0.62 GAA (0.42) ALDH1A1HPGDHTTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US claimed

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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R CNR2 527/4885PARP1 3394/4885NOS1 2410/4885

“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.