SCHEMBL13610470

SCHEMBL13610470

Fc1ccc(-n2ccc3cc(C4(C(F)(F)F)CO4)ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
EPHX2 P34913 1/20 0.39
MGLL Q99685 7/20 0.36
FAAH O00519 1/20 0.32
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BIRC5 O15392 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL4276478 0.78 NR3C1 (0.52) NR3C1
SCHEMBL2173955 0.73 SLC6A3 (0.38)
SCHEMBL4572982 0.68 KCNH2 (0.60) KCNH2EPHX2MGLLNPC1ALDH1A1
SCHEMBL4295429 0.68 KCNH2 (0.60) KCNH2BIRC5
SCHEMBL31165290 0.68 KCNH2 (0.60) KCNH2EPHX2MGLLFAAHNR3C1
SCHEMBL5735272 0.68 KCNH2 (0.60) KCNH2EPHX2MGLLFAAHNR3C1
SCHEMBL9463558 0.68 KCNH2 (0.65) KCNH2EPHX2MGLLNR3C1KDM4E
SCHEMBL4296315 0.68 KCNH2 (0.60) KCNH2EPHX2MGLLFAAHKDM4E
SCHEMBL22204996 0.68 KCNH2 (0.60) KCNH2EPHX2MGLLFAAHNR3C1
SCHEMBL30364829 0.68 KCNH2 (0.60) KCNH2EPHX2MGLLNPC1ALDH1A1

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-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 KCNH2 3456/4885EPHX2 2019/4885MGLL 1618/4885

“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.