SCHEMBL4597865

SCHEMBL4597865

COc1ccc(C(=O)C(=O)C23CC4CC(CC2C4)C3)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
PKM P14618 1/20 0.46
RARA P10276 2/20 0.42
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.40
CTSD P07339 3/20 0.39
BACE1 P56817 3/20 0.39
BACE2 Q9Y5Z0 3/20 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
SCHEMBL4598670 0.88 PKM (0.49) CNR2PKMRARARARBRARG
SCHEMBL4598723 0.79 ALOX15 (0.41) CNR2PKMRARARARBRARG
SCHEMBL4598962 0.73 PKM (0.47) CNR2PKMRARARARBRARG
SCHEMBL4728510 0.72 PKM (0.46) CNR2PKMRARARARBRARG
SCHEMBL4729406 0.72 PKM (0.46) CNR2PKMRARARARBRARG
SCHEMBL4597869 0.72 PKM (0.37) CNR2PKMRARARARBRARG
SCHEMBL4598671 0.70 ALDH1A1 (0.39) CNR2PKMMEN1KMT2ALMNA
SCHEMBL13082597 0.70 TSHR (0.63) PKMMEN1KMT2AALOX15TAS1R3
SCHEMBL9491265 0.68 RARA (0.63) CNR2PKMRARARARBRARG
SCHEMBL1164664 0.68 ALOX15 (0.51) PKMLMNAALOX15TAS1R3TAS1R1

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 778/4885PKM 3194/4885RARA 4872/4885

“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.