SCHEMBL4597869

SCHEMBL4597869

COc1ccc(C(=O)C(=O)C23CC4C=C2CC(C4)C3)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.36
TAS1R3 Q7RTX0 8/20 0.35
TAS1R1 Q7RTX1 8/20 0.35
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33
GOT1 P17174 1/20 0.33
GLRA1 P23415 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.32

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 0.75 PKM (0.49) PKMCNR2ALOX15TAS1R3TAS1R1
SCHEMBL4597865 0.72 CNR2 (0.46) PKMCNR2ALOX15TAS1R3TAS1R1
SCHEMBL4598723 0.71 ALOX15 (0.41) PKMCNR2ALOX15TAS1R3TAS1R1
SCHEMBL13082597 0.65 TSHR (0.63) PKMALOX15TAS1R3TAS1R1MEN1
SCHEMBL1164664 0.64 ALOX15 (0.51) PKMALOX15TAS1R3TAS1R1LMNA
SCHEMBL11577171 0.63 CYP1A2 (0.70) ALOX15TAS1R3TAS1R1LMNAMAPT
SCHEMBL4729406 0.63 PKM (0.46) PKMCNR2ALOX15RARARARB
SCHEMBL4611002 0.63 PDE4A (0.46) ALOX15TAS1R3TAS1R1MEN1KMT2A
SCHEMBL4728510 0.63 PKM (0.46) PKMCNR2ALOX15RARARARB
SCHEMBL195793 0.62 ALDH1A1 (0.56) ALOX15TAS1R3TAS1R1MEN1KMT2A

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 778/4885ALOX15 2080/4885

“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.