SCHEMBL4598300

SCHEMBL4598300

CCCCOc1ccc(C(=O)C(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G4B P0C869 2/20 0.47
ESR1 P03372 1/20 0.46
RARB P10826 2/20 0.45

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
SCHEMBL4599024 0.89 CNR2 (0.61) CNR2HPGDALDH1A1MEN1KMT2A
SCHEMBL4598647 0.81 CNR2 (0.58) CNR2HPGDALDH1A1MEN1KMT2A
SCHEMBL5525884 0.75 ALDH1A1 (0.56) CNR2TSHRALDH1A1KMT2A
SCHEMBL12190754 0.74 TP53 (0.74) TP53TSHRPLA2G4BRARB
SCHEMBL30302445 0.73 TP53 (0.77) TP53TSHRPLA2G4BRARB
SCHEMBL30371836 0.73 TP53 (0.77) TP53TSHRPLA2G4BRARB
SCHEMBL30475759 0.73 TP53 (0.77) TP53TSHRPLA2G4BRARB
SCHEMBL15558380 0.73 TP53 (0.77) TP53TSHRPLA2G4BRARB
SCHEMBL16917421 0.73 TP53 (0.67) TP53TSHRPLA2G4BRARB
SCHEMBL2847927 0.73 TP53 (0.77) TP53TSHRPLA2G4BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP CNR2 778/4885TP53 3689/4885TSHR 4819/4885

“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.