SCHEMBL1593344

SCHEMBL1593344

COCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(CC(C)C)C(=O)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.57
PSEN2 P49810 3/20 0.57
APH1B Q8WW43 3/20 0.57
NCSTN Q92542 3/20 0.57
APH1A Q96BI3 3/20 0.57
PSENEN Q9NZ42 3/20 0.57
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GCGR P47871 1/20 0.38
SCN9A Q15858 3/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 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
SCHEMBL8036731 0.91 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1593139 0.91 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592777 0.90 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592755 0.90 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592566 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3910110 0.86 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1592738 0.85 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491424 0.84 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491307 0.84 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478221 0.84 PSEN1 (0.60) 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.