SCHEMBL3215005

SCHEMBL3215005

CC(=O)C=Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
NFKB1 P19838 1/20 0.46
MAOB P27338 8/20 0.46
ESR1 P03372 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
APP P05067 1/20 0.41
P4HB P07237 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
IAPP P10997 1/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3214998 1.00 CYP1A1 (0.47) CYP1A1CYP1B1NFKB1MAOBESR1
SCHEMBL1950609 0.85 TDO2 (0.51) CYP1A1CYP1B1NFKB1MAOBESR1
SCHEMBL1950607 0.85 TDO2 (0.51) CYP1A1CYP1B1NFKB1MAOBESR1
SCHEMBL5558138 0.84 CYP1A1 (0.47) CYP1A1CYP1B1NFKB1MAOBAPP
SCHEMBL5558135 0.84 CYP1A1 (0.47) CYP1A1CYP1B1NFKB1MAOBAPP
SCHEMBL29090889 0.84 CES2 (0.49) CYP1A1CYP1B1NFKB1MAOBLMNA
SCHEMBL1508785 0.80 ESR1 (0.47) CYP1A1CYP1B1MAOBESR1MAPT
SCHEMBL1508701 0.80 ESR1 (0.47) CYP1A1CYP1B1MAOBESR1MAPT
SCHEMBL1345148 0.80 CYP1A1 (0.55) CYP1A1CYP1B1KDM4ELMNAMAPT
SCHEMBL1345149 0.80 CYP1A1 (0.55) CYP1A1CYP1B1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CYP1A1 83/4885CYP1B1 45/4885NFKB1 718/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CYP1A1 77/4885CYP1B1 51/4885NFKB1 537/4885

“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.