SCHEMBL4598723

SCHEMBL4598723

COc1ccc(C(=O)C(=O)C23CCC(CC2)C3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TAS1R3 Q7RTX0 8/20 0.39
TAS1R1 Q7RTX1 8/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35

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 0.87 PKM (0.49) ALOX15TAS1R3TAS1R1PKMCNR2
SCHEMBL4597865 0.79 CNR2 (0.46) ALOX15TAS1R3TAS1R1PKMCNR2
SCHEMBL4598962 0.72 PKM (0.47) PKMCNR2MEN1KMT2APOLB
SCHEMBL13082597 0.71 TSHR (0.63) ALOX15TAS1R3TAS1R1PKMMEN1
SCHEMBL4597869 0.71 PKM (0.37) ALOX15TAS1R3TAS1R1PKMCNR2
SCHEMBL14603672 0.69 MEN1 (0.59) ALOX15TAS1R3TAS1R1PKMMEN1
SCHEMBL4598671 0.69 ALDH1A1 (0.39) PKMCNR2MEN1KMT2ARAB9A
SCHEMBL11577171 0.69 CYP1A2 (0.70) ALOX15TAS1R3TAS1R1MAPTSMN1; SMN2
SCHEMBL4611002 0.68 PDE4A (0.46) ALOX15TAS1R3TAS1R1MEN1KMT2A
Hydrochloric Acid SCHEMBL16432489 0.68 MEN1 (0.61) ALOX15TAS1R3TAS1R1PKMMEN1

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 ALOX15 2080/4885TAS1R3 4104/4885TAS1R1 4316/4885

“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.