SCHEMBL4598670

SCHEMBL4598670

COc1ccc(C(=O)C(=O)C23CC4CC(CC(C4)C2)C3)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
CNR2 P34972 1/20 0.49
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
P2RX5 Q93086 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4597865 0.88 CNR2 (0.46) PKMCNR2RARARARBRARG
SCHEMBL4598723 0.87 ALOX15 (0.41) PKMCNR2RARARARBRARG
SCHEMBL4598962 0.84 PKM (0.47) PKMCNR2RARARARBRARG
SCHEMBL4598671 0.82 ALDH1A1 (0.39) PKMCNR2P2RX7MEN1KMT2A
SCHEMBL4598647 0.79 CNR2 (0.58) CNR2P2RX7P2RX2MEN1KMT2A
SCHEMBL4598503 0.77 MEN1 (0.45) PKMCNR2P2RX5P2RX4P2RX7
SCHEMBL4729406 0.75 PKM (0.46) PKMCNR2RARARARBRARG
SCHEMBL4728510 0.75 PKM (0.46) PKMCNR2RARARARBRARG
SCHEMBL4597869 0.75 PKM (0.37) PKMCNR2RARARARBRARG
SCHEMBL4728511 0.73 ALDH1A1 (0.61) RARARARBRARGMEN1KMT2A

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 PKM 3194/4885CNR2 778/4885RARA 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.