SCHEMBL1592985

SCHEMBL1592985

COC(=O)C(CC1CC1)c1cc(OCc2ccccc2)cc(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
XBP1 P17861 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL12703229 0.88 YAP1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592782 0.86 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592646 0.85 APP (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592778 0.84 APP (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2847366 0.83 KMT2A (0.51) MEN1KMT2ASMN1; SMN2LTA4HACACA
SCHEMBL12724671 0.82 CNR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27108628 0.82 LTA4H (0.51) SMN1; SMN2LMNAYAP1LTA4HNPC1
SCHEMBL1592679 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592809 0.80 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592680 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. 2011-04-21 US disclosed
WO-2009067493-A2 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. (US) 2009-05-28 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-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS PSEN1, PSEN2, BACE1 PSEN1 1/4885PSEN2 2/4885APH1B 324/4885

“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.