SCHEMBL6808895

SCHEMBL6808895

COC(=O)c1ccc(COC(C)=O)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
BACE1 P56817 1/20 0.43
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MGLL Q99685 1/20 0.40
BDKRB1 P46663 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL6500893 0.88 PSEN1 (0.50) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL6799548 0.84 CFTR (0.50) CFTRKDM4EPSEN1PSEN2APH1B
SCHEMBL6804200 0.82 LSS (0.49) CFTRKDM4EPSEN1PSEN2APH1B
SCHEMBL23354519 0.82 CFTR (0.63) CFTRKDM4EBACE1SLC6A4SLC6A3
SCHEMBL2495129 0.80 CFTR (0.43) CFTRKDM4EMAPTMRGPRX4CYP3A4
SCHEMBL2138612 0.78 CFTR (0.55) CFTRKDM4EBACE1SLC6A4SLC6A3
SCHEMBL6698582 0.78 CFTR (0.55) CFTRKDM4EBACE1SLC6A4SLC6A3
SCHEMBL23354287 0.78 SLC6A3 (0.56) CFTRKDM4EBACE1SLC6A4SLC6A3
SCHEMBL6490165 0.78 PSEN1 (0.52) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL13542853 0.77 ALDH1A1 (0.58) MGLLMAPTMAOBMMP12MMP1

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 CFTR 1213/4885KDM4E 2600/4885PSEN1 1263/4885

“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.